Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics predictions
Ja'afaru, Saudatu Chinade, Uzairu, Adamu, Bayil, Imren, Sallau, Muhammed Sani, Ndukwe, George Iloegbulam, Ibrahim, Muhammad Tukur, Moin, Abu Tayab, Mollah, A. K. M. Moniruzzaman, Absar, Nurul
Published in PloS one (26.06.2024)
Published in PloS one (26.06.2024)
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Computational modeling and molecular dynamics studies of methyl sulfonyl acetate derivatives as potent SmTGR inhibitors: insights into binding interactions
Ja'afaru, Saudatu Chinade, Uzairu, Adamu, Mishra, Vipin Kumar, Sallau, Muhammed Sani, Ibrahim, Muhammad Tukur, Dubey, Amit
Published in Molecular simulation (12.10.2024)
Published in Molecular simulation (12.10.2024)
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Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies
Ja’afaru, Saudatu Chinade, Uzairu, Adamu, Hossain, Sharika, Ullah, Mohammad Hamid, Sallau, Muhammed Sani, Ndukwe, George Iloegbulam, Ibrahim, Muhammad Tukur, Bayil, Imren, Moin, Abu Tayab
Published in PLoS neglected tropical diseases (12.09.2024)
Published in PLoS neglected tropical diseases (12.09.2024)
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Structure-Based Design of Potential Anti-schistosomiasis Agent Targeting SmHDAC8: An In Silico Approach Utilizing QSAR, MD Simulation and ADMET Prediction
Ja’afaru, Saudatu Chinade, Uzairu, Adamu, Sallau, Muhammed Sani, Ndukwe, George Iloegbulam, Ibrahim, Muhammad Tukur, Danazumi, Ammar Usman
Published in Chemistry Africa (01.03.2024)
Published in Chemistry Africa (01.03.2024)
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In-silico exploration and structure-based design of Praziquantel derivatives as potential inhibitors of schistosoma mansoni Glutathione S-transferase (SmGST)
Jáafaru, Saudatu Chinade, Uzairu, Adamu, Sallau, Muhammed Sani, Ndukwe, George Iloegbulam, Ibrahim, Muhammad Tukur, Tabti, Kamal, Kandpal, Pallavi, Kumar, Vimal
Published in Scientific African (01.06.2024)
Published in Scientific African (01.06.2024)
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