Activity Correlation of Some Biologically Potent Schiff Bases

Abstract

Imine-functionalized compounds can be modeled as prospective drugs for curing different disease types, particularly those that might be treated via photodynamic therapy. We assess the applicability of these Schiff base ligand systems as model drugs through first-hand in-vitro interaction by deciphering their mode of binding in different biomimicking environments like micelles, reverse micelles, proteins, lipids, DNA, etc. In the present article, we have designed a library of imine-functionalized molecules whose structure-activity correlation has been thoroughly investigated through computational studies employing Density Functional Theory (DFT) using the Gaussian 09 software. The fundamental pharmacological experimental design might be correlated with the theoretical interpretations. In conclusion, we may infer that the design of these biologically imperative compounds, along with their structure-activity correlation study, will serve as colossally important components for future pharmaceutical research.