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Kumar V, Kumar R, Parate S, Danishuddin, Lee G, Kwon M, Jeong SH, Ro HS, Lee KW, Kim SW. Identification of Activated Cdc42-Associated Kinase Inhibitors as Potential Anticancer Agents Using Pharmacoinformatic Approaches. Biomolecules 2023;13. [PMID: 36830587 DOI: 10.3390/biom13020217] [Reference Citation Analysis]
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Sharma M, Mahto JK, Dhaka P, Neetu N, Tomar S, Kumar P. MD simulation and MM/PBSA identifies phytochemicals as bifunctional inhibitors of SARS-CoV-2. J Biomol Struct Dyn 2022;40:12048-61. [PMID: 34448684 DOI: 10.1080/07391102.2021.1969285] [Cited by in Crossref: 2] [Cited by in F6Publishing: 2] [Article Influence: 2.0] [Reference Citation Analysis]
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Shekh S, Moi S, Gowd KH. Virtual screening of sulfur compounds of Allium against coronavirus proteases: E-Ajoene is a potential dual protease targeting covalent inhibitor. Journal of Sulfur Chemistry. [DOI: 10.1080/17415993.2022.2119086] [Reference Citation Analysis]
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Kalasariya HS, Patel NB, Gacem A, Alsufyani T, Reece LM, Yadav VK, Awwad NS, Ibrahium HA, Ahn Y, Yadav KK, Jeon BH. Marine Alga Ulva fasciata-Derived Molecules for the Potential Treatment of SARS-CoV-2: An In Silico Approach. Mar Drugs 2022;20:586. [PMID: 36135775 DOI: 10.3390/md20090586] [Cited by in F6Publishing: 1] [Reference Citation Analysis]
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Gao K, Wang R, Chen J, Cheng L, Frishcosy J, Huzumi Y, Qiu Y, Schluckbier T, Wei X, Wei GW. Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2. Chem Rev 2022;122:11287-368. [PMID: 35594413 DOI: 10.1021/acs.chemrev.1c00965] [Cited by in Crossref: 15] [Cited by in F6Publishing: 13] [Article Influence: 15.0] [Reference Citation Analysis]
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Samdani MN, Morshed N, Reza R, Asaduzzaman M, Islam ABMMK. Targeting SARS-CoV-2 non-structural protein 13 via helicase-inhibitor-repurposing and non-structural protein 16 through pharmacophore-based screening. Mol Divers 2022. [PMID: 35690957 DOI: 10.1007/s11030-022-10468-8] [Cited by in Crossref: 1] [Article Influence: 1.0] [Reference Citation Analysis]
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Jiang H, Yang P, Zhang J. Potential Inhibitors Targeting Papain-Like Protease of SARS-CoV-2: Two Birds With One Stone. Front Chem 2022;10:822785. [DOI: 10.3389/fchem.2022.822785] [Cited by in Crossref: 4] [Cited by in F6Publishing: 4] [Article Influence: 4.0] [Reference Citation Analysis]
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Parate S, Kumar V, Hong JC, Lee KW. Investigation of Marine-Derived Natural Products as Raf Kinase Inhibitory Protein (RKIP)-Binding Ligands. Mar Drugs 2021;19:581. [PMID: 34677480 DOI: 10.3390/md19100581] [Cited by in Crossref: 3] [Cited by in F6Publishing: 3] [Article Influence: 1.5] [Reference Citation Analysis]
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Patel CN, Jani SP, Jaiswal DG, Kumar SP, Mangukia N, Parmar RM, Rawal RM, Pandya HA. Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations. Sci Rep 2021;11:20295. [PMID: 34645849 DOI: 10.1038/s41598-021-99165-4] [Cited by in Crossref: 6] [Cited by in F6Publishing: 6] [Article Influence: 3.0] [Reference Citation Analysis]
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Kumar V, Parate S, Thakur G, Lee G, Ro HS, Kim Y, Kim HJ, Kim MO, Lee KW. Identification of CDK7 Inhibitors from Natural Sources Using Pharmacoinformatics and Molecular Dynamics Simulations. Biomedicines 2021;9:1197. [PMID: 34572383 DOI: 10.3390/biomedicines9091197] [Cited by in Crossref: 1] [Cited by in F6Publishing: 2] [Article Influence: 0.5] [Reference Citation Analysis]
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Pande M, Kundu D, Srivastava R. Drugs repurposing against SARS-CoV2 and the new variant B.1.1.7 (alpha strain) targeting the spike protein: molecular docking and simulation studies. Heliyon 2021;7:e07803. [PMID: 34423145 DOI: 10.1016/j.heliyon.2021.e07803] [Cited by in Crossref: 3] [Cited by in F6Publishing: 3] [Article Influence: 1.5] [Reference Citation Analysis]
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Parate S, Kumar V, Danishuddin, Hong JC, Lee KW. Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics. Int J Mol Sci 2021;22:5311. [PMID: 34156395 DOI: 10.3390/ijms22105311] [Cited by in Crossref: 7] [Cited by in F6Publishing: 8] [Article Influence: 3.5] [Reference Citation Analysis]
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