Drug-likeness and pharmacokinetic profiling of Piper nigrum alkaloids using In silico approaches

Abstract

Piperine and its derivatives from Black Pepper were evaluated in silico for physicochemical, pharmacokinetic, drug-likeness, and medicinal chemistry properties using Swiss ADME based tools. Most compounds showed good absorption, membrane permeability, and BBB penetration, with Pipericine and Piperidine requiring structural optimization. Piperine, Piperyline, Chavicine, and Isochavicine demonstrated favourable lead-likeness, while target prediction indicated interactions with kinases, oxidoreductases, nuclear receptors, and G-protein coupled receptors (GPCRs). These findings highlight their potential as drug candidates for further docking and experimental validation.