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Mitogen activated protein kinase-1 and cell division control protein-42 are putative targets for the binding of novel natural lead molecules: a therapeutic intervention against Candida albicans.
Gopal D, Muddebihalkar AG, Skariyachan S, C AU, Kaveramma P, Praveen U, Shankar RR, Venkatesan T, Niranjan V. Gopal D, et al. Among authors: niranjan v. J Biomol Struct Dyn. 2020 Sep;38(15):4584-4599. doi: 10.1080/07391102.2019.1682053. Epub 2019 Oct 29. J Biomol Struct Dyn. 2020. PMID: 31625462
Carbon fullerene acts as potential lead molecule against prospective molecular targets of biofilm-producing multidrug-resistant Acinetobacter baumanni and Pseudomonas aerugenosa: computational modeling and MD simulation studies.
Skariyachan S, Gopal D, Kadam SP, Muddebihalkar AG, Uttarkar A, Niranjan V. Skariyachan S, et al. Among authors: niranjan v. J Biomol Struct Dyn. 2021 Feb;39(3):1121-1137. doi: 10.1080/07391102.2020.1726821. Epub 2020 Feb 21. J Biomol Struct Dyn. 2021. PMID: 32036742
Natural epiestriol-16 act as potential lead molecule against prospective molecular targets of multidrug resistant Acinetobacter baumannii-Insight from in silico modelling and in vitro investigations.
Skariyachan S, Muddebihalkar AG, Badrinath V, Umashankar B, Eram D, Uttarkar A, Niranjan V. Skariyachan S, et al. Among authors: niranjan v. Infect Genet Evol. 2020 Aug;82:104314. doi: 10.1016/j.meegid.2020.104314. Epub 2020 Apr 5. Infect Genet Evol. 2020. PMID: 32268193
Response regulator GacA and transcriptional activator RhlR proteins involved in biofilm formation of Pseudomonas aeruginosa are prospective targets for natural lead molecules: Computational modelling, molecular docking and dynamic simulation studies.
Skariyachan S, Ravishankar R, Gopal D, Muddebihalkar AG, Uttarkar A, Praveen PKU, Niranjan V. Skariyachan S, et al. Among authors: niranjan v. Infect Genet Evol. 2020 Nov;85:104448. doi: 10.1016/j.meegid.2020.104448. Epub 2020 Jul 1. Infect Genet Evol. 2020. PMID: 32622078
Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repurposed drugs.
Skariyachan S, Gopal D, Chakrabarti S, Kempanna P, Uttarkar A, Muddebihalkar AG, Niranjan V. Skariyachan S, et al. Among authors: niranjan v. Comput Biol Med. 2020 Nov;126:104054. doi: 10.1016/j.compbiomed.2020.104054. Epub 2020 Oct 14. Comput Biol Med. 2020. PMID: 33074111 Free PMC article.
140 results