Roney M - Search Results

1

Virtual screening, molecular docking, molecular dynamics, and MM-GBSA approaches identify prospective fructose-1,6-bisphosphatase inhibitors from pineapple for diabetes management.

Hossain MS, Roney M, Bin Mohd Yunus MY, Shariffuddin JH. Hossain MS, et al. Among authors: roney m. J Biomol Struct Dyn. 2023 Nov 2:1-16. doi: 10.1080/07391102.2023.2276889. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37916669

2

Evaluation of potential bacterial protease inhibitor properties of selected hydroxyquinoline derivatives: an in silico docking and molecular dynamics simulation approach.

Riaz F, Hossain MS, Roney M, Ali Y, Qureshi S, Muhammad R, Moshawih S, Abd Hamid S, Seidel V, Ur Rashid H, Ming LC. Riaz F, et al. Among authors: roney m. J Biomol Struct Dyn. 2023 Nov;41(19):9756-9769. doi: 10.1080/07391102.2022.2146200. Epub 2022 Nov 18. J Biomol Struct Dyn. 2023. PMID: 36399018

3

Pharmacophore-based virtual screening and in-silico study of natural products as potential DENV-2 RdRp inhibitors.

Roney M, Huq AKMM, Issahaku AR, Soliman MES, Hossain MS, Mustafa AH, Islam MA, Dubey A, Tufail A, Mohd Aluwi MFF, Tajuddin SN. Roney M, et al. J Biomol Struct Dyn. 2023;41(21):12186-12203. doi: 10.1080/07391102.2023.2166123. Epub 2023 Jan 16. J Biomol Struct Dyn. 2023. PMID: 36645141

4

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.

Huq AKMM, Roney M, Imran S, Khan SU, Uddin MN, Htar TT, Baig AA, Bhuiyan MA, Zakaria ZA, Aluwi MFFM, Tajuddin SN. Huq AKMM, et al. Among authors: roney m. J Biomol Struct Dyn. 2023;41(23):13923-13936. doi: 10.1080/07391102.2023.2176926. Epub 2023 Feb 14. J Biomol Struct Dyn. 2023. PMID: 36786766

5

Usnic acid as potential inhibitors of BCL2 and P13K protein through network pharmacology-based analysis, molecular docking and molecular dynamic simulation.

Wong KKV, Roney M, Uddin N, Imran S, Gazali AM, Zamri N, Rullah K, Aluwi MFFM. Wong KKV, et al. Among authors: roney m. J Biomol Struct Dyn. 2023;41(23):13632-13645. doi: 10.1080/07391102.2023.2178506. Epub 2023 Feb 16. J Biomol Struct Dyn. 2023. PMID: 36794726

6

In silico evaluation of usnic acid derivatives to discover potential antibacterial drugs against DNA gyrase B and DNA topoisomerase IV.

Roney M, Issahaku AR, Forid MS, Huq AKMM, Soliman MES, Mohd Aluwi MFF, Tajuddin SN. Roney M, et al. J Biomol Struct Dyn. 2023;41(24):14904-14913. doi: 10.1080/07391102.2023.2193996. Epub 2023 Mar 30. J Biomol Struct Dyn. 2023. PMID: 36995164

7

Computational evaluation of quinones of Nigella sativa L. as potential inhibitor of dengue virus NS5 methyltransferase.

Roney M, Dubey A, Nasir MH, Huq AM, Tufail A, Tajuddin SN, Zamri NB, Mohd Aluwi MFF. Roney M, et al. J Biomol Struct Dyn. 2023 Aug 26:1-11. doi: 10.1080/07391102.2023.2248262. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37632317

8

Computer-aided anti-cancer drug discovery of EGFR protein based on virtual screening of drug bank, ADMET, docking, DFT and molecular dynamic simulation studies.

Roney M, Dubey A, Hassan Nasir M, Tufail A, Tajuddin SN, Mohd Aluwi MFF, Huq AM. Roney M, et al. J Biomol Struct Dyn. 2023 Sep 7:1-16. doi: 10.1080/07391102.2023.2252092. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37676262

9

Selected phytochemicals of Momordica charantia L. as potential anti-DENV-2 through the docking, DFT and molecular dynamic simulation.

Huq AKMM, Roney M, Issahaku AR, Sapari S, Ilyana Abdul Razak F, Soliman MES, Mohd Aluwi MFF, Tajuddin SN. Huq AKMM, et al. Among authors: roney m. J Biomol Struct Dyn. 2023 Sep 7:1-12. doi: 10.1080/07391102.2023.2251069. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37676311

10

Exploring the potential of biologically active phenolic acids from marine natural products as anticancer agents targeting the epidermal growth factor receptor.

Roney M, Issahaku AR, Huq AM, Soliman MES, Tajuddin SN, Aluwi MFFM. Roney M, et al. J Biomol Struct Dyn. 2023 Nov 1:1-24. doi: 10.1080/07391102.2023.2276879. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37909584

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