Benzyl and Sulfonyl Derivatives of N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide (T2288): Biological Screening and Fingerprint applications

Abstract

A series of five N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide (T2288) sulfonamides 6a-e and its five alkylated piperazine derivatives 8a-e have been synthesized, characterized and screened for antibacterial, antifungal and anthelmintic activity. Some of the compounds showed significant biological activities. Molecular docking to crystal structures of target proteins revealed that, active compounds show similar binding poses as that of standards, indicating good correlation of the binding energy with observed invitro data for the active compounds. Finally, the study of latent fingerprint analysis showed that the compound 6c exhibits good stickiness and finger rhythm without dense dust. The resulting compound can be used to detect fingerprints on all types of flat surfaces and hence easily accepted for detecting hidden fingerprints. This research can offer an excellent setting that can lead to the discovery of potential antibacterial, antifungal, anthelmintic and fingerprint agents.

Synthesis, biological screening, in silico study and fingerprint applications of novel 1, 2, 4‐triazole derivatives

“…Structure of synthesized molecules was drawn by using Chem Draw . Energy minimization protocol and macro molecular force field was used to perform Ligand optimization .…”

“…Structure of synthesized molecules was drawn by using Chem Draw. [41,42] Energy minimization protocol and macro molecular force field was used to perform Ligand optimization. [39] Different ligand conformations were produced on the basis of their dihedral energy, bond energy, initial potential energy, CHARM energy values.…”