Abstract

SYNERGIZING MOLECULAR DOCKING AND OVERVIEW OF NETWORK PHARMACOLOGY IN DRUG DISCOVERY: A COMPREHENSIVE REVIEW

Akshay Bharat Chavan*, Mrs. Poonam N. Chougule, Ms. Pushplata P. Sherekar, Dr. Anand Jadag, Mr. Aniket P. Aute

ABSTRACT

Molecular docking's fundamental goal is to forecast a ligand's preferred orientation against a protein receptor to establish an orderly structure.[1] Based on this preferred orientation, saring algorithms are then utilized for predicting a ligand-protein bond's degree or binding capacity. In the field of drug design, where docking is a popular method for predicting the point of orientation at which possible drugs would attach to protein targets, which will predict the medication's affinities and effectiveness, this predictive modelling is very useful (Figure 1). Docking thus becomes highly important in the drug discovery process.[2]

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