Indole moiety induced biological potency in pseudo- peptides derived from 2-amino-2-(1H-indole-2-yl) based acetamides: synthesis, structure and computational investigations

TL;DR

This study synthesizes and investigates novel indole-based pseudo-peptides, revealing their promising pharmaceutical potential through structural, spectroscopic, and computational analyses, highlighting their suitability as drug development candidates.

Contribution

The paper introduces new indole-derived pseudo-peptides and provides comprehensive structural, spectroscopic, and computational data demonstrating their potential as pharmaceutical agents.

Findings

High pharmaceutical potential of synthesized pseudo-peptides

Structural and optical properties depend on molecular composition

Compounds show promising interaction sites for drug development

Abstract

We report the synthesis and theoretical investigations of three novel pseudo-peptide molecules derived from 2-amino-2-(1H-indole-2-yl) acetamides. The compounds were subjected to spectroscopic characterization ($^1$H, $^{13}$C-NMR and MS) and their chemical, electronic, and optical properties have been investigated. To ascertain their potential pharmacological applicability, the prospective reactive centers and molecular sites prone to interaction with water were identified along with possible sensitivity to autoxidation. Further, we have studied the optical response in the presence of different solvents and compared the electronic and optical properties of the pristine molecules. We highlight the subtle dependence of the properties on the structure and composition of these pseudo-peptides. Our results indicate that these molecules have high pharmaceutical potential and could serve as lead components in new drug formulations.