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Molecular dynamics and simulation analysis against superoxide dismutase (SOD) target of Micrococcus luteus with secondary metabolites from Bacillus licheniformis recognized by genome mining approach.
Bagewadi ZK, Yunus Khan TM, Gangadharappa B, Kamalapurkar A, Mohamed Shamsudeen S, Yaraguppi DA. Bagewadi ZK, et al. Among authors: yaraguppi da. Saudi J Biol Sci. 2023 Sep;30(9):103753. doi: 10.1016/j.sjbs.2023.103753. Epub 2023 Aug 1. Saudi J Biol Sci. 2023. PMID: 37583871 Free PMC article.
Molecular docking and simulation studies against nucleoside diphosphate kinase (NDK) of Pseudomonas aeruginosa with secondary metabolite identified by genome mining from paenibacillusehimensis.
Bagewadi ZK, Aakanksha UK, Yaraguppi DA, Yunus Khan TM, Deshpande SH, Dammalli M, Revankar AG, Savalagi AJ, Hiremath SV. Bagewadi ZK, et al. Among authors: yaraguppi da. J Biomol Struct Dyn. 2023;41(22):12610-12619. doi: 10.1080/07391102.2023.2167118. Epub 2023 Jan 18. J Biomol Struct Dyn. 2023. PMID: 36651083
In Silico Study on the Interactions, Molecular Docking, Dynamics and Simulation of Potential Compounds from Withania somnifera (L.) Dunal Root against Cancer by Targeting KAT6A.
Deshpande SH, Muhsinah AB, Bagewadi ZK, Ankad GM, Mahnashi MH, Yaraguppi DA, Shaikh IA, Khan AA, Hegde HV, Roy S. Deshpande SH, et al. Among authors: yaraguppi da. Molecules. 2023 Jan 22;28(3):1117. doi: 10.3390/molecules28031117. Molecules. 2023. PMID: 36770785 Free PMC article.