In silico development of anesthetics based on barbiturate and thiobarbiturate inhibition of GABAA.

In this study, obtained results indicate that there is a very good correlation between all developed models. Molecular fragments that account for the increase/decrease of a studied activity were defined and further used for the computer-aided design of new compounds as potential anesthetics. PMID: 32622179 [PubMed - as supplied by publisher]
Source: Computational Biology and Chemistry - Category: Bioinformatics Authors: Tags: Comput Biol Chem Source Type: research