Synthesis, docking studies, and biological evaluation of anti-ulcer activity of 4-allyl-5-(4-r1)-phеnylthiomethyl-1,2,4-trіаzоle-3-ylmercaptoаcetic acid derivatives

Abstract

A simple and efficient synthesis of 4-allyl-5-(4-R1)-phenylthiomethyl-1,2,4-triazole-3-yl-mercaptoacetic acid derivatives 7a-l is described herein. This technique uses a direct alkylation 3-mercapto-4-allyl-5-(4-R1)-phenylthiomethyl-1,2,4-triazoles 5a-b, with substituted chloracetic acid anilides 6a-k, and 4'-bromo-2-chloroacetophenone 6l. The probability of anti-ulcer activity of the newly synthesized substances 5a-b and 7a-l was simulated by the computer program PASS and docking studies. The findings show that all substances of this group may be used for the treatment NSAID-inducеd ulcers. Presents particular interest. At the beginning of our research, the literature sources on their preparation were scarce. The purpose of this work is the synthesis of new derivatives of 1,2,4-(4Н)-triazoles, prediction of their probable anti-ulcer activity by the computer program PASS, conducting the docking study, and comparison of their anti-ulcer activity in vivo on the acute alcohol-prednisolone model NSAIDinducеd ulcers in rats.