Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs.

ABSTRACT: The exploration of biologically relevant chemical space for the discovery of small bioactive molecules present in marine organisms has led not only to important advances in certain therapeutic areas, but also to a better understanding of many life processes. The still largely untapped reservoir of countless metabolites that play biological roles in marine invertebrates and microorganisms opens new avenues and poses new challenges for research. Computational technologies provide the means to (i) organize chemical and biological information in easily searchable and hyperlinked databases and knowledgebases; (ii) carry out cheminformatic analyses on natural products; (iii) mine microbial genomes for known and cryptic biosynthetic pathways; (iv) explore global networks that connect active compo

SUBMITTER: Gago F 

PROVIDER: S-EPMC9961086 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature