Application of computation in creating dereplicated phytochemical libraries

Author:

Nahar Lutfun,Sarker Satyajit D.

Publisher

Elsevier

Reference81 articles.

1. Dereplication strategies for targeted isolation of new antitrypanosomal actinosporins A and B from a marine sponge associated-Actinokineospora sp. EG49;Abdelmohsen;Mar. Drugs,2014

2. Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics;Alamri;Arab. J. Chem.,2020

3. Integration of molecular networking and in-silico MS/MS fragmentation: a novel dereplication strategy in natural products chemistry;Allard;Planta Med.,2016

4. Virtual screening of phytochemicals by targeting multiple proteins of severe acute respiratory syndrome coronavirus 2: molecular docking and molecular dynamics simulation studies;Azeem;Int. J. Immunol. Pharmacol.,2022

5. The use of isolated natural products as scaffolds for the generation of chemically diverse screening libraries for drug discovery;Barnes;Nat. Prod. Rep.,2016

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