Biological New Targets Prediction & ADME Pharmacokinetics Profiling of Newly Synthesized E / Z Isomers of Methyl 2-phenyl-2-(2-phenylhydrazono) Acetate Derivatives

Abstract

Objective: In order to predict the pharmacokinetic properties, and new potential biological targets, biological targets prediction, and absorption, distribution, metabolism and excretion (ADME) profiling of newly synthesized Entgegen / Zusammen (E / Z isomers) of Methyl 2-phenyl-2-(2-phenylhydrazono) acetate derivatives were carried out. Methods: The prediction of new biological targets, pharmacokinetic properties, membrane permeability, and bioavailability radar properties were carried out by using Swiss Targets Prediction and Swiss ADME tools, respectively. Results: All the eight screened compounds possessed excellent drug-likeness criteria and passed successfully from Pan-assay interference compounds filter. Additionally, all screened compounds fell within the acceptable range in the bioavailability radar, showing excellent descriptors with a slight exceeding of insaturation properties. Compounds displayed elevated permeability across the Blood Brain Barrier, while compounds exhibited highest Human Intestinal Absorption according to the Egan Egg model. Moreover, the screened compounds also exhibited good pharmacokinetic properties. All the compounds exhibited activity against various enzymes, such as lyase, kinase, protease, and Family AG protein-coupled receptor. Conclusion: This conducted study smartly reveals that in-silico based studies were considered to provide robustness towards a rational drug design and development approach; therefore, in this way, it helps for further investigation of drug design and drug discovery steps.