| Design of new Schiff-Base Copper (II) complexes: Synthesis, crystal structures, DFT study, and binding potency toward cytochrome P450 3A4 TL Yusuf, SD Oladipo, S Zamisa, HM Kumalo, IA Lawal, MM Lawal, ... ACS omega 6 (21), 13704-13718, 2021 | 96 | 2021 |
| Theoretical and experimental adsorption studies of phenol and crystal violet dye on carbon nanotube functionalized with deep eutectic solvent IA Lawal, MM Lawal, MA Azeez, P Ndungu Journal of Molecular Liquids 288, 110895, 2019 | 70 | 2019 |
| Mental health research in the lower-middle-income countries of Africa and Asia during the COVID-19 pandemic: a scoping review SK Kar, TP Oyetunji, AJ Prakash, OA Ogunmola, S Tripathy, MM Lawal, ... Neurology, Psychiatry and Brain Research 38, 54-64, 2020 | 60 | 2020 |
| Antibiotic resistance: bioinformatics-based understanding as a functional strategy for drug design U Ndagi, AA Falaki, M Abdullahi, MM Lawal, ME Soliman RSC advances 10 (31), 18451-18468, 2020 | 59 | 2020 |
| Theoretical and experimental adsorption studies of sulfamethoxazole and ketoprofen on synthesized ionic liquids modified CNTs IA Lawal, MM Lawal, SO Akpotu, MA Azeez, P Ndungu, B Moodley Ecotoxicology and Environmental Safety 161, 542-552, 2018 | 59 | 2018 |
| DFT study of the acid‐catalyzed esterification reaction mechanism of methanol with carboxylic acid and its halide derivatives MM Lawal, T Govender, GEM Maguire, HG Kruger, B Honarparvar International Journal of Quantum Chemistry 118 (4), e25497, 2018 | 49 | 2018 |
| Mechanistic investigation of the uncatalyzed esterification reaction of acetic acid and acid halides with methanol: a DFT study MM Lawal, T Govender, GEM Maguire, B Honarparvar, HG Kruger Journal of molecular modeling 22, 1-12, 2016 | 46 | 2016 |
| 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 |
| Noncovalent graphene oxide functionalized with ionic liquid: theoretical, isotherm, kinetics, and regeneration studies on the adsorption of pharmaceuticals IA Lawal, MM Lawal, SO Akpotu, HK Okoro, M Klink, P Ndungu Industrial & Engineering Chemistry Research 59 (11), 4945-4957, 2020 | 36 | 2020 |
| 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 | 27 | 2020 |
| Influenza viruses: harnessing the crucial role of the M2 ion-channel and neuraminidase toward inhibitor design SE Mtambo, DG Amoako, AM Somboro, C Agoni, MM Lawal, NS Gumede, ... Molecules 26 (4), 880, 2021 | 23 | 2021 |
| Computational modelling of potent β-secretase (BACE1) inhibitors towards Alzheimer's disease treatment SC Ugbaja, ZK Sanusi, P Appiah-Kubi, MM Lawal, HM Kumalo Biophysical Chemistry 270, 106536, 2021 | 18 | 2021 |
| 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 | 18 | 2020 |
| DFT study of the structural and electronic properties of selected organogold (III) compounds with characteristic anticancer activity U Ndagi, MM Lawal, ME Soliman Russian Journal of Physical Chemistry A 93, 1543-1558, 2019 | 17 | 2019 |
| 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 | 15 | 2020 |
| The Driving Force for the Acylation of β‐Lactam Antibiotics by L,D‐Transpeptidase 2: Quantum Mechanics/Molecular Mechanics (QM/MM) Study CU Ibeji, MM Lawal, GF Tolufashe, T Govender, T Naicker, GEM Maguire, ... ChemPhysChem 20 (9), 1126-1134, 2019 | 15 | 2019 |
| From recognition to reaction mechanism: an overview on the interactions between HIV-1 protease and its natural targets MM Lawal, ZK Sanusi, T Govender, GEM Maguire, B Honarparvar, ... Current Medicinal Chemistry 27 (15), 2514-2549, 2020 | 14 | 2020 |
| Unraveling the concerted catalytic mechanism of the human immunodeficiency virus type 1 (HIV-1) protease: a hybrid QM/MM study MM Lawal, ZK Sanusi, T Govender, GF Tolufashe, GEM Maguire, ... Structural Chemistry 30, 409-417, 2019 | 14 | 2019 |
| Alzheimer's disease and β-secretase inhibition: an update with a focus on computer-aided inhibitor design SC Ugbaja, IA Lawal, HM Kumalo, MM Lawal Current drug targets 23 (3), 266-285, 2022 | 13 | 2022 |
| Density functional theory study of gold (III)-dithiocarbamate complexes with characteristic anticancer potentials MM Lawal, IA Lawal, MJ Klink, GF Tolufashe, U Ndagi, HM Kumalo Journal of inorganic biochemistry 206, 111044, 2020 | 13 | 2020 |
ISIAKA A LAWALVaal University of Technology, South Africa在 vut.ac.za 的电子邮件经过验证
