| Metal complexes in cancer therapy–an update from drug design perspective U Ndagi, N Mhlongo, ME Soliman Drug design, development and therapy, 599-616, 2017 | 916 | 2017 |
| The impact of Thr91 mutation on c-Src resistance to UM-164: molecular dynamics study revealed a new opportunity for drug design U Ndagi, NN Mhlongo, ME Soliman Molecular BioSystems 13 (6), 1157-1171, 2017 | 55 | 2017 |
| Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach MA Ejalonibu, SA Ogundare, AA Elrashedy, MA Ejalonibu, MM Lawal, ... International Journal of Molecular Sciences 22 (24), 13259, 2021 | 41 | 2021 |
| Induced mutation proves a potential target for TB therapy: a molecular dynamics study on LprG KE Machaba, NN Mhlongo, MES Soliman Cell Biochemistry and Biophysics 76, 345-356, 2018 | 41 | 2018 |
| A critical survey of average distances between catalytic carboxyl groups in glycoside hydrolases NN Mhlongo, AA Skelton, G Kruger, MES Soliman, IH Williams Proteins: Structure, Function, and Bioinformatics 82 (9), 1747-1755, 2014 | 34 | 2014 |
| Dynamics of the thumb-finger regions in a GH11 xylanase Bacillus circulans: comparison between the Michaelis and covalent intermediate NN Mhlongo, M Ebrahim, AA Skelton, HG Kruger, IH Williams, ... RSC advances 5 (100), 82381-82394, 2015 | 26 | 2015 |
| Drug repurposing: Fusidic acid as a potential inhibitor of M. tuberculosis FtsZ polymerization–Insight from DFT calculations, molecular docking and molecular dynamics simulations OI Akinpelu, MM Lawal, HM Kumalo, NN Mhlongo Tuberculosis 121, 101920, 2020 | 25 | 2020 |
| Sliding clamp of DNA polymerase III as a drug target for TB therapy: comprehensive conformational and binding analysis from molecular dynamic simulations KE Machaba, FN Cele, NN Mhlongo, MES Soliman Cell biochemistry and biophysics 74, 473-481, 2016 | 19 | 2016 |
| Single H5N1 influenza A neuraminidase mutation develops resistance to oseltamivir due to distorted conformational and drug binding landscape: multiple molecular dynamics analyses NN Mhlongo, MES Soliman RSC advances 5 (14), 10849-10861, 2015 | 19 | 2015 |
| Dual targeting approach for Mycobacterium tuberculosis drug discovery: insights from DFT calculations and molecular dynamics simulations MA Ejalonibu, AA Elrashedy, MM Lawal, ME Soliman, SC Sosibo, ... Structural Chemistry 31, 557-571, 2020 | 17 | 2020 |
| Understanding the Hsp90 N-Terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and … AM Magwenyane, NN Mhlongo, MM Lawal, DG Amoako, AM Somboro, ... Molecules 25 (8), 1785, 2020 | 14 | 2020 |
| Emergence of a promising lead compound in the treatment of triple negative breast cancer: an insight into conformational features and ligand binding landscape of c-Src protein … U Ndagi, NN Mhlongo, ME Soliman Applied biochemistry and biotechnology 185, 655-675, 2018 | 12 | 2018 |
| Metal complexes in cancer therapy—an update from drug design perspective. Drug Des Devel Ther 11: 599–616 U Ndagi, N Mhlongo, ME Soliman | 12 | 2017 |
| Computational studies of the properties and activities of selected trisubstituted benzimidazoles as potential antitubercular drugs inhibiting MTB-FtsZ polymerization OI Akinpelu, MM Lawal, HM Kumalo, NN Mhlongo Journal of Biomolecular Structure and Dynamics 40 (4), 1558-1570, 2022 | 10 | 2022 |
| In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs NTP Ngidi, KE Machaba, NN Mhlongo Molecules 27 (3), 668, 2022 | 9 | 2022 |
| Probing the dual inhibitory mechanisms of novel thiophenecarboxamide derivatives against Mycobacterium tuberculosis PyrG and PanK: an insight from … MA Ejalonibu, AA Elrashedy, MM Lawal, HM Kumalo, NN Mhlongo Journal of Biomolecular Structure and Dynamics 40 (7), 2978-2990, 2022 | 6 | 2022 |
| Ursolic acid as a potential inhibitor of Mycobacterium tuberculosis cytochrome bc1 oxidase—a molecular modelling perspective N Tembe, KE Machaba, U Ndagi, HM Kumalo, NN Mhlongo Journal of Molecular Modeling 28, 1-13, 2022 | 6 | 2022 |
| Exploring the impact of H5N1 neuraminidase (H274Y) mutation on Peramivir: A bio-computational study from a molecular perspective NM Buthelezi, NN Mhlongo, DG Amoako, AM Somboro, SC Sosibo, ... Journal of Biomolecular Structure and Dynamics 38 (14), 4344-4352, 2020 | 6 | 2020 |
| Molecular insights into Di (2-Picolyl) amine–induced cytotoxicity and apoptosis in human kidney (HEK293) cells L Satyo, DG Amoako, AM Somboro, SC Sosibo, HM Kumalo, NN Mhlongo, ... International journal of toxicology 39 (4), 341-351, 2020 | 6 | 2020 |
| Re-emergence of an orphan therapeutic target for the treatment of resistant prostate cancer–a thorough conformational and binding analysis for ROR-γ protein U Ndagi, NN Mhlongo, ME Soliman Journal of Biomolecular Structure and Dynamics 36 (2), 335-350, 2018 | 6 | 2018 |
