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Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitors.
J Mol Graph Model. 2020 Dec;101:107756. doi: 10.1016/j.jmgm.2020.107756. Epub 2020 Sep 16.
J Mol Graph Model. 2020.
PMID: 32979659
Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking.
Kandagalla S, Novak J, Shekarappa SB, Grishina MA, Potemkin VA, Kumbar B.
Kandagalla S, et al. Among authors: shekarappa sb.
J Biomol Struct Dyn. 2022;40(24):13547-13563. doi: 10.1080/07391102.2021.1990131. Epub 2021 Oct 18.
J Biomol Struct Dyn. 2022.
PMID: 34662258
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Exploring the Potential of Capsaicin Against Cancer Metastasis Based on TGF-β Signaling Modulation Through Module-based Network Pharmacology Approachx.
Kandagalla S, Shekarappa SB, Pavan G, Hani U, Hanumanthappa M.
Kandagalla S, et al. Among authors: shekarappa sb.
Curr Drug Discov Technol. 2020;17(5):647-660. doi: 10.2174/1570163816666190515104041.
Curr Drug Discov Technol. 2020.
PMID: 31113351
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In Silico Screening of Quorum Sensing Inhibitor Candidates Obtained by Chemical Similarity Search.
Shekarappa SB, Rimac H, Lee J.
Shekarappa SB, et al.
Molecules. 2022 Jul 30;27(15):4887. doi: 10.3390/molecules27154887.
Molecules. 2022.
PMID: 35956838
Free PMC article.
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