Traditional drug discovery is an expensive and time consuming process. Pharmaceutical industry suffers from a huge attrition due to last stage failure in traditional drug discovery. Bioinformatics principles can be utilized to overcome this pressure and speedup the process of drug discovery. Computer aided drug design is a remedy to avoid this loss. Drug design means designing the ligand that has high affinity towards target protein. This can be achieved by Virtual Screening. Ligand based virtual screening utilizes information from the ligand about the target. It is a ligand centric approach. The availability of three dimensional structures of protein targets and their possible ligands are utilized for identification and optimization of lead molecules (positive hits) in Structure based virtual screening. It is a target centric approach. To find out fit poses of ligand and its affinity at the active site of target Molecular Docking is done. Molecular docking is tool that contains search algorithm and scoring function. Search algorithms predict the binding modes of a target and fit ligand conformations towards the target. Scoring function is involved in prediction of the affinity of a ligand to bind to a protein target. There are various plat forms and scoring functions for predicting ligand – protein interactions. Consensus Scoring is a technique of combing information from multiple scoring functions and gives relatively accurate result when compared to single scoring function. It shows improvement in terms of quality of hit scores, false positive rate and enrichment. Consensus Scoring gives better, accurate and consistent results across the receptor systems when compared to individual or single scoring functions.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
customersupport@researchsolutions.com
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.