A Proline-Based Tectons and Supramolecular Synthons for Drug Design 2.0: A Case Study of ACEI.

ABSTRACT: Proline is a unique, endogenous amino acid, prevalent in proteins and essential for living organisms. It is appreciated as a tecton for the rational design of new bio-active substances. Herein, we present a short overview of the subject. We analyzed 2366 proline-derived structures deposited in the Cambridge Structure Database, with emphasis on the angiotensin-converting enzyme inhibitors. The latter are the first-line antihypertensive and cardiological drugs. Their side effects prompt a search for improved pharmaceuticals. Characterization of tectons (molecular building blocks) and the resulting supramolecular synthons (patterns of intermolecular interactions) involving proline derivatives, as presented in this study, may be useful for in silico molecular docking and macromolecular modelin

SUBMITTER: Bojarska J 

PROVIDER: S-EPMC7692516 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature