Molecular docking studies, in-silico ADMET predictions and synthesis of novel PEGA-nucleosides as antimicrobial agents targeting class B1 metallo-β-lactamases
Author:
Funder
California State University Channel Islands
Publisher
Springer Science and Business Media LLC
Subject
General Medicine
Link
https://link.springer.com/content/pdf/10.1007/s40203-021-00092-z.pdf
Reference52 articles.
1. Abagyan R, Totrov M, Kuznetsov D (1994) ICM—a new method for protein modeling and design: applications to docking and structure prediction from the distorted native conformation. J Comput Chem. https://doi.org/10.1002/jcc.540150503
2. Antony J, Gresh N, Olsen L, Hemmingsen L, Schofield CJ, Bauer R (2002) Binding of D and L-captopril inhibitors to metallo-β-lactamase studied by polarizable molecular mechanics and quantum mechanics. J Comput Chem. https://doi.org/10.1002/jcc.10111
3. Arnautova YA, Abagyan R, Totrov M (2018) Protein-RNA docking using ICM. J Chem Theory Comput 14:4971–4984. https://doi.org/10.1021/acs.jctc.8b00293
4. Banerjee P, Eckert AO, Schrey AK, Preissner R (2018) ProTox-II: a webserver for the prediction of toxicity of chemicals. Nucleic Acids Res 46:W257–W263. https://doi.org/10.1093/nar/gky318
5. Benet LZ, Hosey CM, Ursu O, Oprea TI (2016) BDDCS, the rule of 5 and drugability. Adv Drug Deliv Rev 101:89–98. https://doi.org/10.1016/j.addr.2016.05.007
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