Synthesis, docking studies, and biological evaluation of anti-ulcer activity of 4-allyl-5-(4-R1)-phеnylthiomethyl-1,2,4-trіаzоle-3-yl-mercaptoаcetic 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.