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Forid, Md Shaekh and Patil, Rajesh B. and Roney, Miah and Huq, A. K. M. Moyeenul and Mohd Hamzah, Mohd Nasir and Mohd Fadhlizil Fasihi, Mohd Aluwi and Muhammad Saupi, Azuri and Wan Maznah, Wan Ishak (2024) Identification of β-cycloidal-derived mono-carbonyl curcumin analogs as potential interleukin-6 inhibitor to treat wound healing through QSAR, molecular docking, MD simulation, MM-GBSA calculation. Journal of Biomolecular Structure and Dynamics. pp. 1-13. ISSN 0739-1102. (In Press / Online First) (In Press / Online First)

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)

Wong, K. K. V. and Roney, Miah and Uddin, Nazim and Imran, Syahrul and Gazali, Ahmad Mahfuz and Zamri, Normaiza and Rullah, Kamal and Mohd Aluwi, Mohd F. F. (2023) Usnic acid as potential inhibitors of BCL2 and P13K protein through network pharmacology-based analysis, molecular docking and molecular dynamic simulation. Journal of Biomolecular Structure and Dynamics, 41 (23). pp. 13632-13645. ISSN 0739-1102. (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)

Roney, Miah and Issahaku, Abdul Rashid and Govinden, Usha and Ahmad Mahfuz, Gazali and Mohd Fadhlizil Fasihi, Mohd Aluwi and Normaiza, Zamri (2023) Diabetic wound healing of aloe vera major phytoconstituents through TGF-b1 suppression via in-silico docking, molecular dynamic simulation and pharmacokinetic studies. Journal of Biomolecular Structure and Dynamics, Published online. ISSN 0739-1102. (In Press / Online First) (In Press / Online First)

Riaz, Faiza and Hossain, Md Sanower and Roney, Miah and Ali, Yousaf and Qureshi, Saira and Muhammad, Riaz and Moshawih, Said and Shafida, Abd Hamid and Seidel, Veronique and Ur Rashid, Haroon and Long, Chiau Ming (2023) Evaluation of potential bacterial protease inhibitor properties of selected hydroxyquinoline derivatives : An in silico docking and molecular dynamics simulation approach. Journal of Biomolecular Structure and Dynamics, 41 (19). pp. 9756-9769. ISSN 0739-1102. (Published)

Roney, Miah and Issahaku, Abdul Rashid and Huq, A. K. M. Moyeenul and Soliman, Mahmoud E. S. and Saiful Nizam, Tajuddin and Mohd Fadhlizil Fasihi, Mohd Aluwi (2023) Exploring the potential of biologically active phenolic acids from marine natural products as anticancer agents targeting the epidermal growth factor receptor. Journal of Biomolecular Structure and Dynamics. pp. 1-24. ISSN 0739-1102. (In Press / Online First) (In Press / Online First)

Miah, Roney and Abdul Rashid, Issahaku and Md Shaekh, Forid and A. K. M., Moyeenul Huq and Mahmoud E. S., Soliman and Mohd Fadhlizil Fasihi, Mohd Aluwi and Saiful Nizam, Tajuddin (2023) In silico evaluation of usnic acid derivatives to discover potential antibacterial drugs against DNA gyrase B and DNA topoisomerase IV. Journal of Biomolecular Structure and Dynamics, 41 (24). pp. 14904-14913. ISSN 0739-1102. (Published)

Miah, Roney and A. K. M., Moyeenul Huq and Abdul Rashid, Issahaku and Mahmoud E. S., Soliman and Md. Sanower, Hossain and Abu Hasnat, Mustafa and Md. Alimul, Islam and Amit, Dubey and Aisha, Tufail and Mohd Fadhlizil Fasihi, Mohd Aluwi and Saiful Nizam, Tajuddin (2023) Pharmacophore-based virtual screening and in-silico study of natural products as potential DENV-2 RdRp inhibitors. Journal of Biomolecular Structure and Dynamics, 41 (21). pp. 12186-12203. ISSN 0739-1102. (Published)

Huq, A. K. M. Moyeenul and Roney, Miah and Issahaku, Abdul Rashid and Suhaila, Sapari and Fazira Ilyana, Abdul Razak and Soliman, Mahmoud E. S. and Mohd Fadhlizil Fasihi, Mohd Aluwi and Saiful Nizam, Tajuddin (2023) Selected phytochemicals of Momordica charantia L. as potential anti-DENV-2 through the docking, DFT and molecular dynamic simulation. Journal of Biomolecular Structure and Dynamics. pp. 1-12. ISSN 0739-1102. (In Press / Online First) (In Press / Online First)

Huq, A.K.M. Moyeenul and Roney, Miah and Syahrul, Imran and Khan, Shafi Ullah and Uddin, Md. Nazim and Htar, Thet Thet and Baig, Atif Amin and Bhuiyan, Mohiuddin Ahmed and Zainul Amiruddin, Zakaria and Mohd Fadhlizil Fasihi, Mohd Aluwi and Saiful Nizam, Tajuddin (2023) Virtual screening of bioactive anti-SARS-CoV natural products and identification of 3β,12-diacetoxyabieta-6,8,11,13-tetraene as a potential inhibitor of SARS-CoV-2 virus and its infection related pathways by MD simulation and network pharmacology. Journal of Biomolecular Structure and Dynamics, 41 (23). pp. 13923-13936. ISSN 0739-1102. (Published)

Hossain, Md. Sanower and Roney, Miah and Mohd Yusri, Mohd Yunus and Jun Haslinda, Shariffuddin (2023) Virtual screening, molecular docking, molecular dynamics, and MM-GBSA approaches identify prospective fructose-1,6-bisphosphatase inhibitors from pineapple for diabetes management. Journal of Biomolecular Structure and Dynamics. ISSN 0739-1102. (In Press / Online First) (In Press / Online First)