Structure-Based Drug Design with a Special Emphasis on Herbal Extracts

Abstract

Structure-based drug design (SBDD) is a computational analysis of identifying ligands which can potentially inhibit the target. SBDD is a cluster of methods and modules which reduces the cost and time spent on experimental procedures. SBDD plays a crucial role in preclinical drug development procedures. There is a vast development in techniques and methods related to theoretical physics and chemistry, computers processers, and pharmacokinetic analysis which helps in elucidating the biological role of ligands and their receptors. Here, the general theoretical backgrounds of various SBDD and simulation approaches employed are discussed. These methods are also discussed with respect to the identification of potential drug-like molecules from natural sources to control human ailments.