QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate
Edache, Emmanuel Israel, Uzairu, Adamu, Mamza, Paul Andrew, Shallangwa, Gideon Adamu
Published in Journal of Genetic Engineering and Biotechnology (17.06.2022)
Published in Journal of Genetic Engineering and Biotechnology (17.06.2022)
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Journal Article
Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions
Abdullahi, Mustapha, Uzairu, Adamu, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Muhammad Tukur
Published in Beni-Suef University Journal of Basic and Applied Sciences (19.08.2022)
Published in Beni-Suef University Journal of Basic and Applied Sciences (19.08.2022)
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Journal Article
In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions
Abdullahi, Mustapha, Uzairu, Adamu, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Muhammad Tukur
Published in Heliyon (01.08.2022)
Published in Heliyon (01.08.2022)
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Journal Article
Retraction notice to “In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions” [Heliyon 8, 2022 Article e10101]
Abdullahi, Mustapha, Uzairu, Adamu, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Muhammad Tukur
Published in Heliyon (01.08.2023)
Published in Heliyon (01.08.2023)
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Journal Article
Molecular docking and QSAR theoretical model for prediction of phthalazinone derivatives as new class of potent dengue virus inhibitors
Adawara, Samuel Ndaghiya, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Abdulkadir
Published in Beni-Suef University Journal of Basic and Applied Sciences (17.11.2020)
Published in Beni-Suef University Journal of Basic and Applied Sciences (17.11.2020)
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Journal Article
Structure-based simulated scanning of rheumatoid arthritis inhibitors: 2D-QSAR, 3D-QSAR, docking, molecular dynamics simulation, and lipophilicity indices calculation
Edache, Emmanuel Israel, Uzairu, Adamu, Mamza, Paul Andrew, Shallangwa, Gideon Adamu
Published in Scientific African (01.03.2022)
Published in Scientific African (01.03.2022)
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Journal Article
Virtual screening, pharmacokinetics, and molecular dynamics simulations studies to identify potent approved drugs for Chlamydia trachomatis treatment
Edache, Emmanuel Israel, Uzairu, Adamu, Shallangwa, Gideon Adamu, Mamza, Paul Andrew
Published in Future journal of pharmaceutical sciences (30.10.2021)
Published in Future journal of pharmaceutical sciences (30.10.2021)
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Journal Article
Chemoinformatic design and profiling of some derivatives of 1, 2, 4-oxadiazole as potential dengue virus NS-5 inhibitors
Adawara, Samuel Ndaghiya, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Abdulkadir, Ibrahim
Published in Bulletin of the National Research Centre (14.03.2022)
Published in Bulletin of the National Research Centre (14.03.2022)
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Journal Article
Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease
Edache, Emmanuel Israel, Uzairu, Adamu, Mamza, Paul Andrew, Shallangwa, Gideon Adamu, Yagin, Fatma Hilal, Abdel Samee, Nagwan, Mahmoud, Noha F.
Published in Frontiers in molecular biosciences (01.09.2023)
Published in Frontiers in molecular biosciences (01.09.2023)
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Methimazole and propylthiouracil design as a drug for anti-graves' disease: Structural studies, Hirshfeld surface analysis, DFT calculations, molecular docking, molecular dynamics simulations, and design as a drug for anti-graves' disease
Edache, Emmanuel Israel, Uzairu, Adamu, Mamza, Paul Andrew, Shallangwa, Gideon Adamu, Azam, Mohammad, Min, Kim
Published in Journal of molecular structure (05.10.2023)
Published in Journal of molecular structure (05.10.2023)
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Journal Article
Structure-based drug design, molecular dynamics simulation, ADMET, and quantum chemical studies of some thiazolinones targeting influenza neuraminidase
Abdullahi, Mustapha, Uzairu, Adamu, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Muhammad Tukur, Ahmad, Iqrar, Patel, Harun
Published in Journal of biomolecular structure & dynamics (2023)
Published in Journal of biomolecular structure & dynamics (2023)
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Journal Article
In-silico molecular modelling studies of some camphor imine based compounds as anti-influenza A (H1N1) pdm09 virus agents
Abdullahi, Mustapha, Uzairu, Adamu, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Muhammad Tukur, Chandra, Anshuman, Goel, Vijay Kumar
Published in Journal of biomolecular structure & dynamics (03.03.2024)
Published in Journal of biomolecular structure & dynamics (03.03.2024)
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Journal Article
Molecular modelling studies of substituted indole derivatives as novel influenza a virus inhibitors
Abdullahi, Mustapha, Uzairu, Adamu, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Muhammad Tukur, Chandra, Anshuman, Goel, Vijay Kumar
Published in Journal of biomolecular structure & dynamics (15.11.2023)
Published in Journal of biomolecular structure & dynamics (15.11.2023)
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Journal Article
3D-QSAR, homology modelling of influenza hemagglutinin receptor (StrainA/WS/1933), molecular dynamics, DFT, and ADMET studies for newly designed inhibitors
Abdullahi, Mustapha, Uzairu, Adamu, Eltayb, Wafa Ali, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Muhammad Tukur
Published in Journal of the Indian Chemical Society (01.04.2023)
Published in Journal of the Indian Chemical Society (01.04.2023)
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Journal Article
Evaluation of novel Anti-SARS-CoV-2 compounds by targeting nucleoprotein and envelope protein through homology modeling, docking simulations, ADMET, and molecular dynamic simulations with the MM/GBSA calculation
Edache, Emmanuel Israel, Uzairu, Adamu, Mamza, Paul Andrew, Shallangwa, Gideon Adamu, Ibrahim, Muhammad Tukur
Published in Intelligent Pharmacy (01.06.2024)
Published in Intelligent Pharmacy (01.06.2024)
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Journal Article
Theoretical Investigation of the Cooperation of Iminoguanidine with the Enzymes-Binding Domain of Covid-19 and Bacterial Lysozyme Inhibitors and their Pharmacokinetic Properties
Edache, Emmanuel Israel, Uzairu, Adamu, Mamza, Paul Andrew, Shallangwa, Gideon Adamu
Published in Journal of the Mexican Chemical Society (01.12.2022)
Published in Journal of the Mexican Chemical Society (01.12.2022)
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