Publications
Featured Publication [Special Issue]
Structure, Function, and inhibition of HIV Proteins: Advances in Therapeutic Targets and Drug Discovery.
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Structure, Function, and inhibition of HIV Proteins: Advances in Therapeutic Targets and Drug Discovery.
Protein Data Bank (PDB) entries:
Apo-crystal structure of a wild-type South African HIV-1 subtype C protease at 2.4 angstrom
Authors: Dlamini, N.P., Pandian, R., Onisuru, O., Achilonu, I.A., Sayed, Y.
The apo-crystal structure of a variant form of the 28-kDa Schistosoma haematobium glutathione transferase in orthorhombic form
Authors: Pandian, R., Mfeka, S.M., Onisuru, O., Sayed, Y., Achilonu, I.A.
The apo-crystal structure of a variant form of the 28-kDa Schistosoma haematobium glutathione transferase
Authors: Pandian, R., Makumbe, H.H., Sayed, Y., Achilonu, I.A.
High-Resolution Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase Complexed with Adenine
Authors: Pandian, R., Jeje, O.A., Sayed, Y., Achilonu, I.A.
Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase at 1.9 Angstroms Resolution
Authors: Pandian, R., Jeje, O.A., Sayed, Y., Achilonu, I.A.
Crystal structure of hemoglobin from turkey (Meleagiris gallopova) crystallized in monoclinic form at 1.66 Angstrom resolution
Authors: Pandian, R., Shobana, N., Sundaresan, S.S., Thangaraj, V., Sayed, Y., Ponnuswamy, M.N.
Crystal structure of hemoglobin from turkey (Meleagiris gallopova) crystallized in orthorhombic form at 1.4 Angstrom resolution
Authors: Pandian, R., Shobana, N., Sundaresan, S.S., Sayed, Y., Ponnuswamy, M.N.
Crystal structure of human glutathione transferase P1-1 (hGSTP1-1) that was co-crystallised in the presence of indanyloxyacetic acid-94 (IAA-94)
Authors: Pandian, R., Worth, R., Thangaraj, V., Sayed, Y., Dirr, H.W.
Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution
Authors: Olfsen, J., Pandian, R., Sayed, Y., Dirr, H.W., Achilonu, I.A.
Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation
Authors: Sherry, D., Pandian, R., Achilonu, I.A., Dirr, H.W., Sayed, Y.
The crystal structure of carbohydrate acetylesterase family member from Sinorhizobium meliloti
Authors: Kim, K., Kim, S.S., Pandian, R., Ngo, T.D.
Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa.
Authors: Nguyen, D.D., Pandian, R., Kim, D.Y., Ha, S.C., Yoon, H.J., Kim, K.S., Yun, K.H., Kim, J.H., Kim, K.K.
Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa.
Authors: Nguyen, D.D., Pandian, R., Kim, D.Y., Ha, S.C., Yoon, H.J., Kim, K.S., Yun, K.H., Kim, J.H., Kim, K.K.
Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa.
Authors: Nguyen, D.D., Pandian, R., Kim, D.Y., Ha, S.C., Yoon, H.J., Kim, K.S., Yun, K.H., Kim, J.H., Kim, K.K.
Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa.
Authors: Nguyen, D.D., Pandian, R., Kim, D.Y., Ha, S.C., Yoon, H.J., Kim, K.S., Yun, K.H., Kim, J.H., Kim, K.K.
Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa.
Authors: Nguyen, D.D., Pandian, R., Kim, D.Y., Ha, S.C., Yoon, H.J., Kim, K.S., Yun, K.H., Kim, J.H., Kim, K.K.
Crystal structure of hemoglobin from mouse (Mus musculus)at 2.8 Å.
Authors: Sundaresan, S.S., Ramesh, P. and Ponnuswamy, M.N.
Crystal structure of dog (Canis familiaris) hemoglobin.
Authors: Sundaresan, S.S., Ramesh, P., Thenmozhi, M. and Ponnuswamy, M.N.
Crystal structure determination of Ostrich hemoglobin at 2.2 Å resolution.
Authors: Sundaresan, S.S., Ramesh, P., Sivakumar, K. and Ponnuswamy, M.N.
Crystal structure of shortfin mako shark (Isurus oxyrinchus) hemoglobin at 1.9Å resolution.
Authors: Ramesh, P., Sundaresan, S.S., Sathya Moorthy, Pon., Balasubramanian, M. and Ponnuswamy, M.N.
X ray crystal structure of turkey (Meleagiris gallopova) hemoglobin at 2.3 Å resolution.
Authors: Ramesh, P., Sundaresan, S. and Ponnuswamy, M.N.
Othman,H., Messaoud, H.B., Khamessi, O., Ben-Mabrouk, H., Ghedira, K., Bharuthram, A., Treurnicht, F., Achilonu, I., Sayed, Y and Srairi-Abid, N. (2022). SARS-CoV-2 Spike Protein Unlikely to Bind to Integrins via the Arg-Gly-Asp (RGD) Motif of the Receptor Binding Domain: Evidence From Structural Analysis and Microscale Accelerated Molecular Dynamics. Frontiers in Molecular Biosciences, Volume 9, 1-11, Article 834857, 14 February 2022 . IF=5,246
Valli, A., Achilonu, I., 2022. Comparative structural analysis of the human and Schistosoma glutathione transferase dimer interface using selective binding of bromosulfophthalein. Proteins: Structure, Function and Bioinformatics.
Otun, S., Escrich, A., Achilonu, I., Rauwane, M., Alexis, J., Lerma-Escalera, Morones-Ramírez, J.R., Rios-Solis, L., 2022. The future of cassava in the era of biotechnology in Southern Africa. Critical Reviews in Biotechnology, 1-19.
Daya, T., Jeje, O., Maake, R., Aloke, C., Khoza, T., Achilonu, I., 2022. Expression, Purification, and Biophysical Characterization of Klebsiella Pneumoniae Nicotinate Nucleotide Adenylyltransferase. The Protein Journal, 1-16.
Othman, H., Messaoud, H.B., Khamessi, O., Ben-Mabrouk, H., Ghedira, K., Bharuthram, A., Treurnicht, F., Achilonu, I., Sayed, Y., Srairi-Abid, N., 2022. SARS-CoV-2 spike protein unlikely to bind to integrins via the Arg-Gly-Asp (RGD) motif of the receptor binding domain: evidence from structural analysis and microscale accelerated molecular dynamics. Frontiers in Molecular Biosciences, 9.
Sherry, D., Worth, R, and Sayed, Y. (2021). Elasticity-associated functionality and inhibition of the HIV protease. Protein Reviews. Advances in Experimental Medicine and Biolo, vol 1371. springer, Cham.
Sherry, D., Worth, R., Sheik Ismail, Z and Sayed, Y. (2021). Cantilever-centric mechanism of cooperative non-active site mutations in HIV protease: Implications for flap dynamic. Journal of Molecular Graphics and Modelling, 106, 107931, 1-19. DOI: . IF=2,079
Pandian, R., Selvarajan, S. S., Nagaraj, S., Thangaraj, V., Kandasamy, S., Sayed, Y, and Mondikalipudur, N.G.P. (2021). Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties. Acta Cryst. D77, 690–702 DOI: . IF=5,266
Selvarajan, S.S., Pandian, R., Nagaraj, S., Thangaraj, V., Sayed, Y, and Mondikalipudur, N.G.P. (2021). Crystal structure of hemoglobin from mouse (Mus musculus) compared with those from other small animals and humans. Acta Cryst. F77, 113–120. DOI: . IF=1,9
Padi, N., Akumadu, B.O., Faerch, O., Aloke, C., Meyer, V., Achilonu, I., 2021. Engineering a Pseudo-26-kDa Schistosoma Glutathione Transferase from bovis/haematobium for Structure, Kinetics, and Ligandin Studies. Biomolecules, 11, 1844.
Pooe, K., Worth, R., Iwuchukwu, E.A., Dirr, H.W., Achilonu, I., 2021. An empirical and theoretical description of Schistosoma japonicum glutathione transferase inhibition by bromosulfophthalein and indanyloxyacetic acid 94. Journal of Molecular Structure 1223, 128892.
Jeje, O., Maake, R., van Deventer, R., Esau, V., Iwuchukwu, E.A., Meyer, V., Khoza, T., Achilonu, I., 2021. Effect of Divalent Metal Ion on the Structure, Stability and Function of Klebsiella pneumoniae Nicotinate-Nucleotide Adenylyltransferase: Empirical and Computational Studies. International Journal of Molecular Sciences 23, 116.
Motiwala, T., Akumadu, B.O., Zuma, S., Mfeka, M.S., Chen, W., Achilonu, I., Syed, K., Khoza, T., 2021. Caseinolytic Proteins (Clp) in the Genus Klebsiella: Special Focus on ClpK. Molecules 27, 200.
Thulo M., Rabie, M.A., Pahad, N., Donald, H.L., Blane A.A., Perumal, C.M., Penedo, J.C. and Fanucchi, S. (2020) The influence of various regions of the FOXP2 sequence on its structure and DNA-binding function. Bioscience Reports (2020) 00 1-13
Akumadu, B.O., Pandian, R., Olfsen, J., Worth, R., Thulo, M., Mentor, T., Fanucchi, S., Sayed, Y., Dirr, H.W., Achilonu, I (2020) Molecular basis of inhibition of Schistosoma japonicum glutathione
Schnetler, R., Fanucchi, S., Moldoveanu, T. and Koorsen, G. (2020) Linker Histone H1.3 Directly activates BAK through the K/RVVKP Motif on the C-Terminal domain. Biochemistry, 2020, 59(36), pp. 3332–3346
Odame, F., Hosten, E., Krause, J., Isaacs, M., Hoppe, H., Khanye, S.D., Sayed, Y., Frost, F., Lobb, K and Tshentu, Z. (2020). Synthesis, Characterization and Biological Activity of Some Dithiourea Derivatives. Acta Chim. Slov. 67, 764–777. DOI: 10.17344/acsi.2019.5689. IF = 1,104
Akumadu, B. O., Pandian, R., Olfsen, J., Worth, R., Thulo, M., Mentor, T., Fanucchi, S., Sayed, Y., Dirr, H. W., and Achilonu, I. (2020). Molecular basis of inhibition of Schistosoma japonicum glutathione transferase by ellagic acid: insights into biophysical and structural studies. Molecular and Biochemical Parasitology.org/10.1016/j.molbiopara.2020.111319. IF = 1,571
Achilonu, I., Iwuchukwu, E. A., Achilonu, O. J., Fernandes, M. A., and Sayed, Y. (2020). Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2-P3 α-ketoamide derivative and Pentagastrin: An in-silico drug discovery approach. Journal of Molecular Graphics and Modelling. . IF = 2,079
Sherry, D., Worth, R., and Sayed, Y. (2020). Two-step preparation of highly pure, soluble HIV protease from inclusion bodies recombinantly expressed in Escherichia coli. Current Protocols in Protein Science, 100, doi: 10.1002/cpps.106. IF = 1,92
Rashamuse, T. J., Njengele, Z., Coyanis, E. M., Sayed, Y., Mosebi, S., and Bode, L, M. (2020) Design, synthesis and biological evaluation of novel 2-(5-aryl-1Himidazol-1-yl) derivatives as potential inhibitors of the HIV-1 Vpu and host BST-2 protein interaction, European Journal of Medicinal Chemistry. 190, 112111. IF = 4,833
Achilonu, I., Iwuchukwu, E.A., Achilonu, O.J., Fernandes, M.A., Sayed, Y., 2020. Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2–P3 α-ketoamide derivative and Pentagastrin: An in-silico drug discovery approach. Journal of Molecular Graphics and Modelling, 101, 107730.
Akumadu, B.O., Pandian, R., Olfsen, J., Worth, R., Thulo, M., Mentor, T., Fanucchi, S., Sayed, Y., Dirr, H.W., Achilonu, I., 2020. Molecular basis of inhibition of Schistosoma japonicum glutathione transferase by ellagic acid: Insights into biophysical and structural studies. Molecular and Biochemical Parasitology, 240, 111319.
Mfeka, M.S., Martínez-Oyanedel, J., Chen, W., Achilonu, I., Syed, K., Khoza, T., 2020. Comparative analyses and structural insights of new class glutathione transferases in Cryptosporidium species. Scientific Reports 10, 1-12.
Keshav, V., Achilonu, I., Dirr, H., Kondiah, K., 2019. Recombinant expression and purification of a functional bacterial metallo-chaperone PbrD-fusion construct as a potential biosorbent for Pb (II). Protein Expression and Purification 158, 27-35.
Williams, A., Basson, A., Achilonu, I., Dirr, H.W., Morris, L., Sayed, Y., 2019. Double trouble? Gag in conjunction with double insert in HIV protease contributes to reduced DRV susceptibility. Biochemical Journal 476, 375-384.
Zondagh, J., Basson, A.E., Achilonu, I., Morris, L., Dirr, H.W., Sayed, Y., 2019. Drug susceptibility and replication capacity of a rare HIV-1 subtype C protease hinge region Antiviral Therapy 24, 333-342.
Ismail, N. O., Odendaal, C., Serem, J. C., Strӧmstedt, A. A., Bester, M. J., Sayed, Y., Neitz, A. W. H., and Gaspar, A. R. M. (2019) Antimicrobial function of short amidated peptide fragments from the tick-derived OsDef2 defensin, J Pept Sci. Nov 12:e3223. doi: 10.1002/psc.3223. [Epub ahead of print] PMID: 31713951. IF = 2,081
Maseko, S., Padayachee, E., Maphumulo, S., Govender, T., Sayed, Y., Maguire, G., Lin, J., Naicker., and Gerhardus, K. H. (2019) Kinetic and thermodynamic characterisation of HIV-protease inhibitors against E35D↑G↑S mutant in the South African HIV-1 subtype C protease, J Enzyme Inhib Med Chem. Dec;34(1):1451-1456. doi: 10.1080/14756366.2019.1636234. IF = 4,027
Zondagh, J., Basson, A. E., Achilonu, I., Morris, L., Dirr, H. W., and Sayed, Y. (2019) Drug susceptibility and replication capacity of a rare HIV-1 subtype C protease hinge region variant, Antivir Ther. 24(5):333-342. doi: 10.3851/IMP3308. IF = 3,04
Ledwaba, J., Sayed, Y., Pillay, V., Morris, L., and Hunt, G. (2019 ) Low Frequency of Protease Inhibitor Resistance Mutations and Insertions in HIV-1 Subtype C Protease Inhibitor-Naïve Sequences, AIDS Res Hum Retroviruses. Jul;35(7):673-678. doi: 10.1089/AID.2019.0012. Epub 2019 Apr 4. IF = 1,805
Williams, A., Basson, A., Achilonu, I., Dirr, H. W., Morris, L., and Sayed, Y. (2019) Double trouble? Gag in conjunction with double insert in HIV protease contributes to reduced DRV susceptibility, Biochem J. Jan 31;476(2):375-384. doi: 10.1042/BCJ20180692. IF = 4,331
Morris, G., Pahad, N., Dirr, H. and Fanucchi, S. (2018) A conserved cation binding site in the DNA binding domain of forkhead box transcription factors regulates DNA binding by FOXP2. Archives of Biochemistry and Biophysics, August 2018 (657) 56-64
Blane, A., Dirr, H. and Fanucchi, S. (2018) A phosphomimetic study implicates Ser557 in regulation of FOXP2 DNA binding. Protein Journal (37) 311-323
Morris, G., Stoychev, S., Naicker, P., Dirr, H. and Fanucchi, S. (2018) The forkhead domain hinge -loop plays a pivotal role in DNA binding and transcriptional activity of FOXP2. Biological chemistry (399) 881-893
Zondagh, J., Williams, A., Achilonu, I., Dirr, H. W., and Sayed, Y. (2018) Overexpression, Purification and Functional Characterisation of Wild-Type HIV-1 Subtype C Protease and Two Variants Using a Thioredoxin and His-Tag Protein Fusion System, Protein Journal, 1-11. IF = 1,133
Zondagh, J., Balakrishnan, V., Achilonu, I., Dirr, H. W., and Sayed, Y. (2018) Molecular dynamics and ligand docking of a hinge region variant of South African HIV-1 subtype C protease, Journal of Molecular Graphics and Modelling 82, 1-11. IF = 1,885
Odame, F., Betz, R., Hosten, E. C., Krause, J., Isaacs, M., Hoppe, H. C., Khanye, S. D., Sayed, Y., Frost, C., Lobb, K. A., & Tshentu, Z. R (2018). A New Synthetic Method for Tetraazatricyclic Derivatives and Evaluation of Their Biological Properties. Chemistry Select, 3, 13613– 13618. DOI: 10.1002/slct.201802930. IF = 1,70
van Eeden, C., Wibmer, C. K., Scheepers, C., Richardson, S. I., Nonyane, M., Lambson, B., Mkhize, N. N., Vijayakumar, B., Sheng, Z., Stanfield-Oakley, S., Bhiman, J. N., Bekker, V., Hermanus, T., Mabvakure, B., Ismail, A., Moody, M. A., Wiehe, K., Garrett, N., Karim, S. A., Dirr, H., Fernandes, M. A., Sayed, Y., Shapiro, L., Ferrari, G., Haynes, B. F., Moore, P. L., and Morris, L. (2018) V2-Directed Vaccine-like Antibodies from HIV-1 Infection Identify an Additional K169-Binding Light Chain Motif with Broad ADCC Activity, Cell Reports 25, 3123-3135 e3126. IF = 8,032
Webb, H., Steeb, O., Blane, A., Rotherham, L., Aron, S., Machanick, P., Dirr, H. and Fanucchi, S.The FOXP2 forkhead domain binds to a variety of DNA sequences with different rates and affinities. Journal of Biochemistry162, 45-54
Morris, G. and Fanucchi, S.A key evolutionary mutation enhances DNA binding of the FOXP2 forkhead domain. Biochemistry 55(13), 1959-1967
Blane, A. and Fanucchi, S. The effect of pH on the DNA binding affinity of the FOXP2 forkhead domain. Biochemistry 54(25), 4001-4007
Perumal, K., Dirr, H.W. and Fanucchi, S. Replacement of Tyr540 at the dimer interface with a phenylalanine increases the dimerisation potential of the FOXP2 forkhead domain. The protein journal 34, 111-121
Cross, M.O., Fernandes, M.A., Dirr, H. W. and Fanucchi, S.Glutamate 85 and Glutamate 228 Contribute to the pH-Response of the Soluble Form of Chloride Intracellular Channel 1 Molecular and Cellular Biochemistry 398,83-93
Peter, B., Fanucchi, S. and Dirr, H.W. A conserved cationic motif enhances membrane binding and insertion of the chloride intracellular channel protein 1 transmembrane domain European Biophysics Journal 43, 405-414
Peter, B., Polyansky, A., Fanucchi, S. and Dirr, H,W. (2014) A Lys-Trp Cation- interaction Mediates the Dimerization and Function of the Chloride Intracellular Channel Protein 1 Transmembrane Domain. Biochemistry 53: 57-67
Robertson, G. J., Stoychev, S. H., Sayed, Y., Achilonu, I., and Dirr, H. W. (2017) The effects of mutating Tyr9 and Arg15 on the structure, stability, conformational dynamics and mechanism of GSTA3-3, Biophys Chemistry 224, 40-48. IF = 1,870
Maseko, S. B., Padayachee, E., Govender, T., Sayed, Y., Kruger, G., Maguire, G. E., and Lin, J. (2017) I36T↑ T mutation in South African subtype C (C-SA) HIV-1 protease significantly alters protease-drug interactions, Biological Chemistry 398, 1109-1117. IF = 3,022
Tshabalala, T.N., Tomescu, M.S, Prior, A., Balakrishnan, V., Sayed, Y., Dirr, H.W., and Achilonou, I (2016). Energetics of gluthathione binding to human eukaryotic elongation factor 1 gamma: isothermal tritration calorimetry and molecular dynamic studies, Protein Journal 35, 448-458.
Njengele, Z., Kleynhans, R., Sayed, Y., and Mosebi, S. (2016) Expression, purification and characterization of a full-length recombinant HIV-1 Vpu from inclusion bodies, Protein Expression and Purification 128, 109-114. IF = 1,338
Maseko, S. B., Natarajan, S., Sharma, V., Bhattacharyya, N., Govender, T., Sayed, Y., Maguire, G. E., Lin, J., and Kruger, H. G. (2016) Purification and characterization of naturally occurring HIV-1 (South African subtype C) protease mutants from inclusion bodies, Protein Expression and Purification 122, 90-96. IF = 1,338
Lockhat, H. A., Silva, J. R., Alves, C. N., Govender, T., Lameira, J., Maguire, G. E., Sayed, Y., and Kruger, H. G. (2016) Binding free energy calculations of nine FDA‐approved protease inhibitors against HIV‐1 subtype C I36T↑ T containing 100 amino acids per monomer, Chemical Biology & Drug Design 87, 487-498. IF = 2,328
Naicker, P., Stoychev, S., Dirr, H. W., and Sayed, Y. (2014) Amide hydrogen exchange in HIV–1 subtype B and C proteases–insights into reduced drug susceptibility and dimer stability, The FEBS Journal 281, 5395-5410. IF = 4,53
Naicker, P., and Sayed, Y. (2014) Non-B HIV-1 subtypes in sub-Saharan Africa: impact of subtype on protease inhibitor efficacy, Biological Chemistry 395, 1151-1161. IF = 3,022
Peter, B., Polyansky, A., Fanucchi, S. and Dirr, H.W. (2014) A Lys−Trp Cation−π Interaction Mediates the Dimerization and Function of the Chloride Intracellular Channel Protein 1 Transmembrane Domain. Biochemistry 53: 57-67
Legg-E'Silva, D., Achilonou, I., Fanucchi, S., Stoychev, S.H., Fernandes, M.A., and Dirr, H.W. (2012) Role of the Arginine 29 and Glutamic acid 81 interactions in the Conformational Stability of Human Chloride Intracellular Channel 1. Biochemistry 51(40): 7854-62
Prinsloo, L., Naidoo, A., Serem, J., Taute, H., Sayed, Y., Bester, M., Neitz, A., and Gaspar, A. (2013) Structural and functional characterization of peptides derived from the carboxy‐terminal region of a defensin from the tick Ornithodoros savignyi, Journal of Peptide Science 19, 325-332. IF = 1,969
Pawar, S. A., Jabgunde, A. M., Maguire, G. E., Kruger, H. G., Sayed, Y., Soliman, M. E., Dhavale, D. D., and Govender, T. (2013) Linear and cyclic glycopeptide as HIV protease inhibitors, European Journal of Medicinal Chemistry 60, 144-154. IF = 4,816
Olomola, T. O., Klein, R., Mautsa, N., Sayed, Y., and Kaye, P. T. (2013) Synthesis and evaluation of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors, Bioorganic & Medicinal Chemistry 21, 1964-1971. IF = 2,881
Naicker, P., Seele, P., Dirr, H. W., and Sayed, Y. (2013b) F99 is critical for dimerization and activation of South African HIV-1 subtype C protease, Protein Journal 32, 560-567. IF = 1,133
Naicker, P., Achilonu, I., Fanucchi, S., Fernandes, M., Ibrahim, M. A., Dirr, H. W., Soliman, M. E., and Sayed, Y. (2013a) Structural insights into the South African HIV-1 subtype C protease: impact of hinge region dynamics and flap flexibility in drug resistance, Journal of Biomolecular Structure and Dynamics 31, 1370-1380. IF = 3,107
Makatini, M. M., Petzold, K., Alves, C. N., Arvidsson, P. I., Honarparvar, B., Govender, P., Govender, T., Kruger, H. G., Sayed, Y., and JerônimoLameira. (2013) Synthesis, 2D-NMR and molecular modelling studies of pentacycloundecane lactam-peptides and peptoids as potential HIV-1 wild type C-SA protease inhibitors, Journal of Enzyme Inhibition and Medicinal Chemistry 28, 78-88. IF = 3,638
Karpoormath, R., Sayed, Y., Govender, T., Kruger, H. G., Soliman, M. E., and Maguire, G. E. (2013) Novel PCU cage diol peptides as potential targets against wild-type CSA HIV-1 protease: synthesis, biological screening and molecular modelling studies, Medicinal Chemistry Research 22, 3918-3933. IF = 1,607
Ahmed, S. M., Kruger, H. G., Govender, T., Maguire, G. E., Sayed, Y., Ibrahim, M. A., Naicker, P., and Soliman, M. E. (2013) Comparison of the molecular dynamics and calculated binding free energies for nine FDA-approved HIV-1 PR drugs against subtype B and C-SA HIV PR, Chemical Biology & Drug Design 81, 208-218. IF = 2,328
Naicker, P., Achilonu, I., Fanucchi, S., Fernandes, M., Ibrahim, MA., Dirr, HW., Soliman, M.E. and Sayed, Y. (2013) J Biomol Struct Dyn. 31(12): 1370-1380
Peter, B., Ngubane, N.C., Fanucchi, S. and Dirr, H.W. (2013) Membrane mimetics induce helix formation and oligomerization of the chloride intracellular channel protein 1 transmembrane domain. Biochemistry 52(16): 2739-49
Achilonu, I., Fanucchi, S., Cross, M., Fernandes, M., Dirr, H.W., 2012. Role of individual histidines in the pH-dependant stability of human chloride intracellular channel 1. Biochemistry 51, 995-1004.
Thafeni, M.A., Sayed, Y., and Motadi, L.R. (2012) Euphorbia mauritanica and Kedrostis hirtella extracts can induce anti-proliferative activities in lung cancer cells, Molecular Biology Reports 39, 10785-10794.
Pawar, S. A., Jabgunde, A. M, Govender, P., Maguire, G. E., Kruge, H. G., Parboosing, R., Solman, M.E., Sayed, Y., Dhavale, D.D., and Govender, T. (2012) Synthesis and molecular modeling studies of novel carbapeptide analogs for inhibition of HOV-1 protease, European Journal of Medicinal Chemistry 53, 13-21.
Makatini, M. M., Petzold, K., Arvidsson, P. I., Honarparvar, B., Govender, T., Maguire, G. E., Parboosing, R., Sayed, Y., Soliman, M. E., and Kruger, H. G. (2012) Synthesis, screening and computational investigation of pentacycloundecane-peptoids as potent CSA-HIV PR inhibitors, European Journal of Medicinal Chemistry 57, 459-467. IF = 4,816
Karpoormath, R., Sayed, Y., Govender, P., Govender, T., Kruger, H. G., Soliman, M. E., and Maguire, G. E. (2012) Pentacycloundecane derived hydroxy acid peptides: a new class of irreversible non-scissile ether bridged type isoster as potential HIV-1 wild type C-SA protease inhibitors, Bioorganic Chemistry 40, 19-29. IF =3,929
Honarparvar, B., Makatini, M. M., Pawar, S. A., Petzold, K., Soliman, M. E., Arvidsson, P. I., Sayed, Y., Govender, T., Maguire, G. E., and Kruger, H. G. (2012) Pentacycloundecane‐diol‐based HIV‐1 protease inhibitors: biological screening, 2D NMR, and molecular simulation studies, ChemMedChem 7, 1009-1019. IF = 3,009
Makatini, M. M., Petzold, K., Sriharsha, S.N., Soliman, M.E., Honarparavar, B., Arvidsson, P.I., Sayed, Y., Govender, P., Maguire, G.E., and Kruger, H.G. (2011) Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease, Bioorganic & Medical Chemistry Letters 21, 2274-2277.
Derryn Legg-E'Silva, Ikechukwu Achilonu, Sylvia Fanucchi, Stoyan H. Stoychev, Manuel Antonio Fernandes, and Heini W Dirr (2012) Role of Arginine 29 and Glutamic acid 81 Interactions in the Conformational Stability of Human Chloride Intracellular Channel 1. Biochemistry 51(40): 7854-62.
Achilonu I, Fanucchi S, Cross M, Fernandes M, Dirr HW (2012) Biochemistry 51, 995-1004
Makatini, M. M., Petzold, K., Sriharsha, S. N., Soliman, M. E., Honarparvar, B., Arvidsson, P. I., Sayed, Y., Govender, P., Maguire, G. E., and Kruger, H. G. (2011) Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease, Bioorganic & Medicinal Chemistry Letters 21, 2274-2277. IF = 2,442
Makatini, M. M., Petzold, K., Sriharsha, S. N., Ndlovu, N., Soliman, M. E., Honarparvar, B., Parboosing, R., Naidoo, A., Arvidsson, P. I., and Sayed, Y. (2011) Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: A hybrid 2D NMR and docking/QM/MM/MD approach, European Journal of Medicinal Chemistry 46, 3976-3985. IF = 4,816
Balchin, D., Dirr, H. W., and Sayed, Y. (2011) Energetics of ligand binding to human glutathione transferase A1-1: Tyr-9 associated localisation of the C-terminal helix is ligand-dependent, Biophysical Chemistry 156, 153-158. IF = 1,870
Parbhoo N, Stoychev SH, Fanucchi S, Achilonu I, Adamson RJ, Fernandes M, Gildenhuys S, Dirr HW. (2011) A Conserved Domain Interaction is a Determinant of Folding Cooperativity in the GST Fold. Biochemistry 50: 7067-7075.
Olomola, T. O., Klein, R., Lobb, K. A., Sayed, Y., and Kaye, P. T. (2010) Towards the synthesis of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors, Tetrahedron Letters 51, 6325-6328. IF = 2,125
Gildenhuys, S., Wallace, L. A., Burke, J. P., Balchin, D., Sayed, Y., and Dirr, H. W. (2010) Class Pi glutathione transferase unfolds via a dimeric and not monomeric intermediate: functional implications for an unstable monomer, Biochemistry 49, 5074-5081. IF = 2,997
Gildenhuys, S., Dobreva, M., Kinsley, N., Sayed, Y., Burke, J., Pelly, S., Gordon, G. P., Sayed, M., Sewell, T., and Dirr, H. W. (2010) Arginine 15 stabilizes an SNAr reaction transition state and the binding of anionic ligands at the active site of human glutathione transferase A1-1, Biophysical Chemistry 146, 118-125. IF = 1,870
Balchin, D., Fanucchi, S., Achilonu, I., Adamson, R.J., Burke, J., Fernandes, M., Gildenhuys, S. and Dirr, H.W. (2010) Stability of the Domain Interface Contributes Towards the Catalytic Function at the H-site of Class Alpha Glutathione Transferase A1-1. Biophys. Acta 1804, 2228-2233
Achilonou, I., Gildenhuys, S., Fisher, L., Burke, J., Fanucchi, S., Sewell, B.T., Fernandes, M. and Dirr, H.W. (2010) The role of a topologically conserved isoleucine in glutathione transferase structure, stability and function. Acta Cryst, F66, 776-780
Stoychev, S.H., Nathaniel, C., Fanucchi, S., Brock, M., Li, S., Asmus, K., Woods, V.L. Jr. and Dirr, H.W. (2009) Structural Dynamics of Soluble Chloride Intracellular Channel Protein CLIC1 Examined by Amide Hydrogen-Deuterium Exchange Mass Spectrometry. Biochemistry 48, 8413 – 8421
Mosebi, S., Morris, L., Dirr, H. W., and Sayed, Y. (2008) Active-site mutations in the South African human immunodeficiency virus type 1 subtype C protease have a significant impact on clinical inhibitor binding: kinetic and thermodynamic study, Journal of Virology 82, 11476-11479. IF = 4,368
Kinsley, N., Sayed, Y., Mosebi, S., Armstrong, R. N., and Dirr, H. W. (2008) Characterization of the binding of 8-anilinonaphthalene sulfonate to rat class Mu GST M1-1, Biophysical Chemistry 137, 100-104. IF = 1,879
Fanucchi, S., Adamson, R.J. and Dirr, H.W. (2008) Formation of an Unfolding Intermediate State of Soluble Chloride Intracellular Channel Protein CLIC1 at Acidic pH. Biochemistry 47, 11674 – 11681
Zondagh, J., Williams, A., Achilonu, I., Dirr, H. W., and Sayed, Y. (2018) Overexpression, Purification and Functional Characterisation of Wild-Type HIV-1 Subtype C Protease and Two Variants Using a Thioredoxin and His-Tag Protein Fusion System, Protein Journal, 1-11. IF = 1,133
Zondagh, J., Balakrishnan, V., Achilonu, I., Dirr, H. W., and Sayed, Y. (2018) Molecular dynamics and ligand docking of a hinge region variant of South African HIV-1 subtype C protease, Journal of Molecular Graphics and Modelling 82, 1-11. IF = 1,885
Odame, F., Betz, R., Hosten, E. C., Krause, J., Isaacs, M., Hoppe, H. C., Khanye, S. D., Sayed, Y., Frost, C., Lobb, K. A., & Tshentu, Z. R (2018). A New Synthetic Method for Tetraazatricyclic Derivatives and Evaluation of Their Biological Properties. Chemistry Select, 3, 13613– 13618. DOI: 10.1002/slct.201802930. IF = 1,70
van Eeden, C., Wibmer, C. K., Scheepers, C., Richardson, S. I., Nonyane, M., Lambson, B., Mkhize, N. N., Vijayakumar, B., Sheng, Z., Stanfield-Oakley, S., Bhiman, J. N., Bekker, V., Hermanus, T., Mabvakure, B., Ismail, A., Moody, M. A., Wiehe, K., Garrett, N., Karim, S. A., Dirr, H., Fernandes, M. A., Sayed, Y., Shapiro, L., Ferrari, G., Haynes, B. F., Moore, P. L., and Morris, L. (2018) V2-Directed Vaccine-like Antibodies from HIV-1 Infection Identify an Additional K169-Binding Light Chain Motif with Broad ADCC Activity, Cell Reports 25, 3123-3135 e3126. IF = 8,032
Robertson, G. J., Stoychev, S. H., Sayed, Y., Achilonu, I., and Dirr, H. W. (2017) The effects of mutating Tyr9 and Arg15 on the structure, stability, conformational dynamics and mechanism of GSTA3-3, Biophys Chemistry 224, 40-48. IF = 1,870
Maseko, S. B., Padayachee, E., Govender, T., Sayed, Y., Kruger, G., Maguire, G. E., and Lin, J. (2017) I36T↑ T mutation in South African subtype C (C-SA) HIV-1 protease significantly alters protease-drug interactions, Biological Chemistry 398, 1109-1117. IF = 3,022
Tshabalala, T. N., Tomescu, M.-S., Prior, A., Balakrishnan, V., Sayed, Y., Dirr, H. W., and Achilonu, I. (2016) Energetics of glutathione binding to human eukaryotic elongation factor 1 gamma: isothermal titration calorimetry and molecular dynamics studies, Protein Journal 35, 448-458. IF = 1,133
Njengele, Z., Kleynhans, R., Sayed, Y., and Mosebi, S. (2016) Expression, purification and characterization of a full-length recombinant HIV-1 Vpu from inclusion bodies, Protein Expression and Purification 128, 109-114. IF = 1,338
Maseko, S. B., Natarajan, S., Sharma, V., Bhattacharyya, N., Govender, T., Sayed, Y., Maguire, G. E., Lin, J., and Kruger, H. G. (2016) Purification and characterization of naturally occurring HIV-1 (South African subtype C) protease mutants from inclusion bodies, Protein Expression and Purification 122, 90-96. IF = 1,338
Lockhat, H. A., Silva, J. R., Alves, C. N., Govender, T., Lameira, J., Maguire, G. E., Sayed, Y., and Kruger, H. G. (2016) Binding free energy calculations of nine FDA‐approved protease inhibitors against HIV‐1 subtype C I36T↑ T containing 100 amino acids per monomer, Chemical Biology & Drug Design 87, 487-498. IF = 2,328
Naicker, P., Stoychev, S., Dirr, H. W., and Sayed, Y. (2014) Amide hydrogen exchange in HIV–1 subtype B and C proteases–insights into reduced drug susceptibility and dimer stability, The FEBS Journal 281, 5395-5410. IF = 4,53
Naicker, P., and Sayed, Y. (2014) Non-B HIV-1 subtypes in sub-Saharan Africa: impact of subtype on protease inhibitor efficacy, Biological Chemistry 395, 1151-1161. IF = 3,022
Prinsloo, L., Naidoo, A., Serem, J., Taute, H., Sayed, Y., Bester, M., Neitz, A., and Gaspar, A. (2013) Structural and functional characterization of peptides derived from the carboxy‐terminal region of a defensin from the tick Ornithodoros savignyi, Journal of Peptide Science 19, 325-332. IF = 1,969
Pawar, S. A., Jabgunde, A. M., Maguire, G. E., Kruger, H. G., Sayed, Y., Soliman, M. E., Dhavale, D. D., and Govender, T. (2013) Linear and cyclic glycopeptide as HIV protease inhibitors, European Journal of Medicinal Chemistry 60, 144-154. IF = 4,816
Olomola, T. O., Klein, R., Mautsa, N., Sayed, Y., and Kaye, P. T. (2013) Synthesis and evaluation of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors, Bioorganic & Medicinal Chemistry 21, 1964-1971. IF = 2,881
Naicker, P., Seele, P., Dirr, H. W., and Sayed, Y. (2013b) F99 is critical for dimerization and activation of South African HIV-1 subtype C protease, Protein Journal 32, 560-567. IF = 1,133
Naicker, P., Achilonu, I., Fanucchi, S., Fernandes, M., Ibrahim, M. A., Dirr, H. W., Soliman, M. E., and Sayed, Y. (2013a) Structural insights into the South African HIV-1 subtype C protease: impact of hinge region dynamics and flap flexibility in drug resistance, Journal of Biomolecular Structure and Dynamics 31, 1370-1380. IF = 3,107
Makatini, M. M., Petzold, K., Alves, C. N., Arvidsson, P. I., Honarparvar, B., Govender, P., Govender, T., Kruger, H. G., Sayed, Y., and JerônimoLameira. (2013) Synthesis, 2D-NMR and molecular modelling studies of pentacycloundecane lactam-peptides and peptoids as potential HIV-1 wild type C-SA protease inhibitors, Journal of Enzyme Inhibition and Medicinal Chemistry 28, 78-88. IF = 3,638
Karpoormath, R., Sayed, Y., Govender, T., Kruger, H. G., Soliman, M. E., and Maguire, G. E. (2013) Novel PCU cage diol peptides as potential targets against wild-type CSA HIV-1 protease: synthesis, biological screening and molecular modelling studies, Medicinal Chemistry Research 22, 3918-3933. IF = 1,607
Ahmed, S. M., Kruger, H. G., Govender, T., Maguire, G. E., Sayed, Y., Ibrahim, M. A., Naicker, P., and Soliman, M. E. (2013) Comparison of the molecular dynamics and calculated binding free energies for nine FDA-approved HIV-1 PR drugs against subtype B and C-SA HIV PR, Chemical Biology & Drug Design 81, 208-218. IF = 2,328
Thafeni, M. A., Sayed, Y., and Motadi, L. R. (2012) Euphorbia mauritanica and Kedrostis hirtella extracts can induce anti-proliferative activities in lung cancer cells, Molecular Biology Reports 39, 10785-10794. IF = 1,889
Pawar, S. A., Jabgunde, A. M., Govender, P., Maguire, G. E., Kruger, H. G., Parboosing, R., Soliman, M. E., Sayed, Y., Dhavale, D. D., and Govender, T. (2012) Synthesis and molecular modelling studies of novel carbapeptide analogs for inhibition of HIV-1 protease, European Journal of Medicinal Chemistry 53, 13-21. IF = 4,816
Makatini, M. M., Petzold, K., Arvidsson, P. I., Honarparvar, B., Govender, T., Maguire, G. E., Parboosing, R., Sayed, Y., Soliman, M. E., and Kruger, H. G. (2012) Synthesis, screening and computational investigation of pentacycloundecane-peptoids as potent CSA-HIV PR inhibitors, European Journal of Medicinal Chemistry 57, 459-467. IF = 4,816
Karpoormath, R., Sayed, Y., Govender, P., Govender, T., Kruger, H. G., Soliman, M. E., and Maguire, G. E. (2012) Pentacycloundecane derived hydroxy acid peptides: a new class of irreversible non-scissile ether bridged type isoster as potential HIV-1 wild type C-SA protease inhibitors, Bioorganic Chemistry 40, 19-29. IF =3,929
Honarparvar, B., Makatini, M. M., Pawar, S. A., Petzold, K., Soliman, M. E., Arvidsson, P. I., Sayed, Y., Govender, T., Maguire, G. E., and Kruger, H. G. (2012) Pentacycloundecane‐diol‐based HIV‐1 protease inhibitors: biological screening, 2D NMR, and molecular simulation studies, ChemMedChem 7, 1009-1019. IF = 3,009
Makatini, M. M., Petzold, K., Sriharsha, S. N., Soliman, M. E., Honarparvar, B., Arvidsson, P. I., Sayed, Y., Govender, P., Maguire, G. E., and Kruger, H. G. (2011) Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease, Bioorganic & Medicinal Chemistry Letters 21, 2274-2277. IF = 2,442
Makatini, M. M., Petzold, K., Sriharsha, S. N., Ndlovu, N., Soliman, M. E., Honarparvar, B., Parboosing, R., Naidoo, A., Arvidsson, P. I., and Sayed, Y. (2011) Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: A hybrid 2D NMR and docking/QM/MM/MD approach, European Journal of Medicinal Chemistry 46, 3976-3985. IF = 4,816
Balchin, D., Dirr, H. W., and Sayed, Y. (2011) Energetics of ligand binding to human glutathione transferase A1-1: Tyr-9 associated localisation of the C-terminal helix is ligand-dependent, Biophysical Chemistry 156, 153-158. IF = 1,870
Olomola, T. O., Klein, R., Lobb, K. A., Sayed, Y., and Kaye, P. T. (2010) Towards the synthesis of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors, Tetrahedron Letters 51, 6325-6328. IF = 2,125
Gildenhuys, S., Wallace, L. A., Burke, J. P., Balchin, D., Sayed, Y., and Dirr, H. W. (2010) Class Pi glutathione transferase unfolds via a dimeric and not monomeric intermediate: functional implications for an unstable monomer, Biochemistry 49, 5074-5081. IF = 2,997
Gildenhuys, S., Dobreva, M., Kinsley, N., Sayed, Y., Burke, J., Pelly, S., Gordon, G. P., Sayed, M., Sewell, T., and Dirr, H. W. (2010) Arginine 15 stabilizes an SNAr reaction transition state and the binding of anionic ligands at the active site of human glutathione transferase A1-1, Biophysical Chemistry 146, 118-125. IF = 1,870
Mosebi, S., Morris, L., Dirr, H. W., and Sayed, Y. (2008) Active-site mutations in the South African human immunodeficiency virus type 1 subtype C protease have a significant impact on clinical inhibitor binding: kinetic and thermodynamic study, Journal of Virology 82, 11476-11479. IF = 4,368
Kinsley, N., Sayed, Y., Mosebi, S., Armstrong, R. N., and Dirr, H. W. (2008) Characterization of the binding of 8-anilinonaphthalene sulfonate to rat class Mu GST M1-1, Biophysical Chemistry 137, 100-104. IF = 1,879
Alves, C. S., Kuhnert, D. C., Sayed, Y., and Dirr, H. W. (2006) The intersubunit lock-and-key motif in human glutathione transferase A1-1: role of the key residues Met51 and Phe52 in function and dimer stability, Biochemical Journal 393, 523-528. IF = 3,857
Kuhnert, D. C., Sayed, Y., Mosebi, S., Sayed, M., Sewell, T., and Dirr, H. W. (2005) Tertiary interactions stabilise the C-terminal region of human glutathione transferase A1-1: a crystallographic and calorimetric study, Journal of Molecular Miology 349, 825-838. IF = 4,894
Dirr, H. W., Little, T., Kuhnert, D. C., and Sayed, Y. (2005) A conserved N-capping motif contributes significantly to the stabilization and dynamics of the C-terminal region of class Alpha glutathione S-transferases, Journal of Biological Chemistry 280, 19480-19487. IF = 4,010
Kolobe, D., and Sayed, Y. (2004) Characterization of bromosulphophthalein binding to human glutathione S-transferase A1-1: thermodynamics and inhibition kinetics, Biochemical Journal 382, 703-709. IF = 3,857
Velázquez-Campoy, A., Vega, S., Fleming, E., Bacha, U., Sayed, Y., Dirr, H. W., and Freire, E. (2003) Protease inhibition in African subtypes of HIV-1, Aids Rev 5, 165-171. IF = 2,775
Mosebi, S., Sayed, Y., Burke, J., and Dirr, H. W. (2003) Residue 219 impacts on the dynamics of the C-terminal region in glutathione transferase A1-1: implications for stability and catalytic and ligandin functions, Biochemistry 42, 15326-15332. IF = 2,997
Sayed, Y., Hornby, J. A., Lopez, M., and Heini, D. (2002) Thermodynamics of the ligandin function of human class Alpha glutathione transferase A1-1: energetics of organic anion ligand binding, Biochemical Journal 363, 341-346. IF = 3,857
Sayed, Y., Wallace, L. A., and Dirr, H. W. (2000) The hydrophobic lock‐and‐key intersubunit motif of glutathione transferase A1‐1: implications for catalysis, ligandin function and stability, FEBS Letters 465, 169-172. IF = 2,999
