A Semi-empirical based QSAR study of indole𝜷-Diketo acid, Diketo acid and Carboxamide Derivativesas potent HIV-1 agent Using Quantum Chemical descriptors EI Edache, AJ Uttu, A Oluwaseye, H Samuel, A Abduljelil | 21 | 2015 |
Theoretical investigation of correlations between molecular and electronic structure and antifungal activity in coumarin derivatives: combining Qsar and Dft studies A Ajala, A Uzairu, I Suleiman, A Uttu Journal of Advances in Medical and Pharmaceutical Sciences 16 (3), 1-18, 2018 | 17 | 2018 |
A short review on plants used as anti-snake venom M Adamu, AJ Uttu, A Ajala, RM Obansa, M Madumelu Journal of Chemical Reviews 5 (3), 341-352, 2023 | 16 | 2023 |
Structure-based drug design of novel piperazine containing hydrazone derivatives as potent Alzheimer inhibitors: molecular docking and drug kinetics evaluation A Ajala, A Uzairu, GA Shallangwa, SE Abechi Brain Disorders 7, 100041, 2022 | 10 | 2022 |
2D QSAR, design, docking study and ADMET of some N-aryl derivatives concerning inhibitory activity against Alzheimer disease A Ajala, A Uzairu, GA Shallangwa, SE Abechi Future Journal of Pharmaceutical Sciences 8 (1), 30, 2022 | 10 | 2022 |
QSAR, simulation techniques, and ADMET/pharmacokinetics assessment of a set of compounds that target MAO-B as anti-Alzheimer agent A Ajala, A Uzairu, GA Shallangwa, SE Abechi Future Journal of Pharmaceutical Sciences 9 (1), 4, 2023 | 9 | 2023 |
Virtual screening, molecular docking simulation and ADMET prediction of some selected natural products as potential inhibitors of NLRP3 inflammasomes as drug candidates for … A Ajala, A Uzairu, GA Shallangwa, SE Abechi Biocatalysis and Agricultural Biotechnology 48, 102615, 2023 | 8 | 2023 |
In-silico design, molecular docking and pharmacokinetics studies of some tacrine derivatives as anti-Alzheimer agents: theoretical investigation A Abduljelil, A Uzairu, G Shallangwa, S Abechi Adv J Chem Sect A 5, 59-69, 2022 | 6 | 2022 |
Correlation study on growth and yield components of rice (Oryza sativa L.) varieties grown under integrated weed management in Sudan Savanna of Nigeria A Ajala, A Muhammad, A Yakubu, M Adamu, Y Busari Journal of Agriculture and Ecology Research International 19 (1), 1-6, 2019 | 5 | 2019 |
QSAR, Molecular Docking, Dynamic Simulation and Kinetic Study of Monoamine Oxidase B Inhibitors as Anti-Alzheimer Agent A Ajala, A Uzairu, GA Shallangwa, AE Stephen Chemistry Africa 6 (3), 1321-1334, 2023 | 4 | 2023 |
Computational and pharmacokinetics studies of 1, 3-dimethylbenzimidazolinone analogues of new proposed agent against Alzheimer's disease A Ajala, A Uzairu, GA Shallangwa, SE Abechi Beni-Suef University Journal of Basic and Applied Sciences 11 (1), 53, 2022 | 4 | 2022 |
Chemometric study of some α, β-unsaturated ketone as potential antifungal agents using density function theory and GFA (ATCC 10231 and NCIM 3446 cell line) A Ajala, A Uzairu, IO Suleiman Cogent Chemistry 2 (1), 1175073, 2016 | 4 | 2016 |
In silico screening of potential Tumor necrosis factor alpha (TNF-α) inhibitors through molecular modeling, molecular docking, and pharmacokinetics evaluations SE Abechi, S Ejeh, A Abduljelil Scientific African 21, e01830, 2023 | 3 | 2023 |
Natural product inhibitors as potential drug candidates against Alzheimer's disease: Structural-based drug design, molecular docking, molecular dynamic simulation experiments … A Ajala, A Uzairu, GA Shallangwa, SE Abechi, R Ramu, M Al-Ghorbani Journal of the Indian Chemical Society 100 (5), 100977, 2023 | 3 | 2023 |
Chemometric Study, Homology Modeling of G Protein-Coupled Bile Acids Receptor (GPBAR_HUMAN) of Type-2 Diabetes Mellitus, Virtual Screening Evaluation, Drug-Likeness and ADME … SE Adeniji, A Ajala, DE Arthur, M Abdullahi, OI Areguamen Macromolecular research 30 (9), 659-676, 2022 | 3 | 2022 |
Computational evaluation of the inhibitory potential of some urea, thiourea, and selenourea derivatives of diselenides against leishmaniasis: 2D-QSAR, pharmacokinetics … FA Ugbe, EI Edache, SE Adeniji, DE Arthur, A Ajala, SN Adawara, S Ejeh, ... Journal of Molecular Structure 1302, 137473, 2024 | 2 | 2024 |
In-silico Screening and ADMET evaluation of Therapeutic MAO-B Inhibitors against Parkinson Disease A Ajala, WA Eltayb, TM Abatyough, S Ejeh, HA Otaru, EI Edache, ... Intelligent Pharmacy, 2023 | 2 | 2023 |
Virtual screening and pharmacokinetics analysis of inhibitors against tuberculosis: Structure and ligand-based approach SE Abechi, AT Michael, A Abduljelil, E Stephen, OH Asipita Scientific African 23, e02085, 2024 | 1 | 2024 |
Natural inhibitors of DYRK1A as drug candidates against Alzheimer Disease: QSAR, molecular docking, molecular dynamics simulation and drug evaluation assessment A Abduljelil, A Uzairu, GA Shallangwa, SE Abechi, R Ramu, N Kumar | 1 | 2023 |
QSAR Based Pharmacophore Modeling, Design, Molecular Simulation and Computational ADME/Pharmacokinetics Validation SE Adeniji, A Ajala, OI Areguamen | 1 | 2022 |