Items where Author is "Tufail, Aisha"

Article

Moyeenul Huq, A. K. M. and Roney, Miah and Dubey, Amit and Muhammad Hassan, Nasir and Tufail, Aisha and Mohd Fadhlizil Fasihi, Mohd Aluwi and Wan Maznah, Wan Ishak and Islam, Md. Rabiul and Saiful Nizam, Tajuddin (2024) Phenolic compounds of Theobroma cacao L. show potential against dengue RdRp protease enzyme inhibition by In-silico docking, DFT study, MD simulation and MMGBSA calculation. PLoS ONE, 19 (3). pp. 1-20. ISSN 1932-6203. (Published)

Roney, Miah and Dubey, Amit and Issahaku, Abdul Rashid and Uddin, Md. Nazim and Tufail, Aisha and Wilhelm, Anke and Normaiza, Zamri and Mohd Fadhlizil Fasihi, Mohd Aluwi (2024) Insights from in silico exploration of major curcumin analogs targeting human dipeptidyl peptidase IV. Journal of Biomolecular Structure and Dynamics. pp. 1-15. ISSN 0739-1102. (In Press / Online First) (In Press / Online First)

Miah, Roney and Singh, Gagandeep and Dubey, Amit and Soni, Hemant and Tandon, Smriti and Narasimhaji, Cheemlapati Venkata and Tufail, Aisha and Akm, Moyeenul Huq and Mohd Fadhlizil Fasihi, Mohd Aluwi (2023) Polypharmacological assessment of amoxicillin and its analogues against the bacterial DNA gyrase B using molecular docking, DFT and molecular dynamics simulation. Aspects of Molecular Medicine, 2 (100024). pp. 1-10. ISSN 2949-6888. (Published)

Roney, Miah and Dubey, Amit and Muhammad Hassan, Nasir and Huq, A. K. M. Moyeenul and Tufail, Aisha and Saiful Nizam, Tajuddin and Normaiza, Zamri and Mohd Fadhlizil Fasihi, Mohd Aluwi (2023) Computational evaluation of quinones of Nigella sativa L. as potential inhibitor of dengue virus NS5. Journal of Biomolecular Structure and Dynamics. pp. 1-11. ISSN 0739-1102. (In Press / Online First) (In Press / Online First)

Roney, Miah and Dubey, Amit and Muhammad Hassan, Nasir and Tufail, Aisha and Saiful Nizam, Tajuddin and Mohd Fadhlizil Fasihi, Mohd Aluwi and Huq, A. K. M. Moyeenul (2023) Computer-aided anti-cancer drug discovery of EGFR protein based on virtual screening of drug bank, ADMET, docking, DFT and molecular dynamic simulation studies. Journal of Biomolecular Structure and Dynamics. pp. 1-16. ISSN 0739-1102. (In Press / Online First) (In Press / Online First)