| Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review VT Sabe, T Ntombela, LA Jhamba, GEM Maguire, T Govender, T Naicker, ... European Journal of Medicinal Chemistry 224, 113705, 2021 | 331 | 2021 |
| The catalytic role of water in the binding site of l, d-transpeptidase 2 within acylation mechanism: a QM/MM (ONIOM) modelling CU Ibeji, GF Tolufashe, T Ntombela, T Govender, GEM Maguire, ... Tuberculosis 113, 222-230, 2018 | 18 | 2018 |
| Structure and function of L, D-and D, D-transpeptidase family enzymes from Mycobacterium tuberculosis GF Tolufashe, VT Sabe, CU Ibeji, T Ntombela, T Govender, GEM Maguire, ... Current medicinal chemistry 27 (19), 3250-3267, 2020 | 13 | 2020 |
| Molecular insight on the non-covalent interactions between carbapenems and l,d-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study T Ntombela, Z Fakhar, CU Ibeji, T Govender, GEM Maguire, ... Journal of computer-aided molecular design 32, 687-701, 2018 | 12 | 2018 |
| Inhibition of Mycobacterium tuberculosis L,D‐Transpeptidase 5 by Carbapenems: MD and QM/MM Mechanistic Studies GF Tolufashe, AK Halder, CU Ibeji, MM Lawal, T Ntombela, T Govender, ... ChemistrySelect 3 (48), 13603-13612, 2018 | 8 | 2018 |
| In Vitro and In Vivo Development of a β-Lactam-Metallo-β-Lactamase Inhibitor: Targeting Carbapenem-Resistant Enterobacterales BK Peters, N Reddy, M Shungube, L Girdhari, S Baijnath, S Mdanda, ... ACS Infectious Diseases 9 (3), 486-496, 2023 | 5 | 2023 |
| Structure-Activity Relationship of Antimicrobial Peptoids PL Nyembe, T Ntombela, MM Makatini Pharmaceutics 15 (5), 1506, 2023 | 4 | 2023 |
| Neutralizing Carbapenem Resistance by Co-Administering Meropenem with Novel β-Lactam-Metallo-β-Lactamase Inhibitors N Reddy, L Girdhari, M Shungube, AC Gouws, BK Peters, KK Rajbongshi, ... Antibiotics 12 (4), 633, 2023 | 4 | 2023 |
| Mechanistic insight on the inhibition of D, D-carboxypeptidase from Mycobacterium tuberculosis by β-lactam antibiotics: an ONIOM acylation study T Ntombela, A Seupersad, S Maseko, CU Ibeji, G Tolufashe, ... Journal of Biomolecular Structure and Dynamics 40 (17), 7645-7655, 2022 | 4 | 2022 |
| Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation AG Mushebenge, SC Ugbaja, SE Mtambo, T Ntombela, JI Metu, ... Molecules 28 (6), 2641, 2023 | 3 | 2023 |
| Inherent efficacies of pyrazole-based derivatives for cancer therapy: the interface between experiment and in silico ZF Dube, OS Soremekun, T Ntombela, MI Alahmdi, NE Abo-Dya, ... Future Medicinal Chemistry 15 (18), 1719-1738, 2023 | 2 | 2023 |
| Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction SB Maseko, Y Brammerloo, I Van Molle, A Sogues, C Martin, C Gorgulla, ... Antiviral research 217, 105675, 2023 | 2 | 2023 |
| Cationic Chitosan Derivatives for the Inactivation of HIV-1 and SARS-CoV-2 Enveloped Viruses ZED Cele, W Matshe, L Mdlalose, K Setshedi, K Malatji, NP Mkhwanazi, ... ACS omega 8 (35), 31714-31724, 2023 | 2 | 2023 |
| Interactome and structural basis for targeting the human T-cell leukemia virus Tax oncoprotein SB Maseko, I Van Molle, K Blibek, C Gorgulla, J Olivet, J Blavier, ... bioRxiv, 2021.08. 25.457680, 2021 | 1 | 2021 |
| Structural basis for targeting the human T-cell leukemia virus Tax oncoprotein and syntenin-1 interaction using a small molecule S Maseko, I Van Molle, K Blibek, C Gorgulla, J Olivet, J Blavier, ... | | 2021 |
| Computational studies of mycobacterium tuberculosis L, d-transpeptidase2. T Ntombela | | 2018 |
| The Binding Potential of Novel NOTA-Based Inhibitors Against Metallo-β-Lactamases IMP-1 and VIM-2: A Molecular Docking and Molecular Dynamics Study VT Sabe, T Ntombela, LA Jhamba, SB Maseko, GEM Maguire, ... Available at SSRN 4399127, 0 | | |
