molecular docking a advance bioinformatics strategy for structure based drug designing - IIP Series

Publication Type: Edited Book

MOLECULAR DOCKING: A ADVANCE BIOINFORMATICS STRATEGY FOR STRUCTURE-BASED DRUG DESIGNING

Book Name: Futuristic Trends in Biotechnology V3B4
Authors: Poojaben M Prajapati , Komal G Lakhani , Bharat Maitreya , G. V. Marviya
Keywords: Molecular docking; molecular docking types; docking mechanism; docking assessment; application.
Area/Stream: BIOTECHNOLOGY, GENOMICS & BIOENGINEERING / Other /
Published in: IIP Series
Volume: 3, Month:May,Year:2023
Page No.: 184-196
e-ISBN: 978-93-6252-751-6
DOI: https://www.doi.org/10.58532/V3BJBT4P2CH2

Abstract:

The computational modeling of structural complexes created by two or more interacting molecules is known as molecular docking. Prediction of an interesting three-dimensional structure is the aim of molecular docking. Software for molecular docking is mainly employed in drug development. Molecules and simple access to structural databases have harmed a vital mechanism. Several pricey tools for drug design and research are provided by molecular docking. Simple molecular prediction and quick access to structure databases are now essential tools on the desktop of a medicinal chemist. The major application of molecular docking is virtual screening. Different computational techniques can be employed to analyze docking gain, and numerous docking programs were utilized to visualize the molecule's three-dimensional structure. In structural molecular biology and computer-aided drug design, molecular docking is crucial. Docking may be used to perform virtual screening on huge libraries of compounds, score the outcomes, and provide structural hypotheses for how the ligands reduce the target, all of which are beneficial for lead optimization.

Cite this: Poojaben M Prajapati , Komal G Lakhani , Bharat Maitreya , G. V. Marviya, MOLECULAR DOCKING: A ADVANCE BIOINFORMATICS STRATEGY FOR STRUCTURE-BASED DRUG DESIGNING , In: Futuristic Trends in Biotechnology V3B4, IIP Series, Volume 3, May, 2023, pp. 184-196, Iterative International Publishers IIP, E-ISBN: 978-93-6252-751-6, DOI: https://www.doi.org/10.58532/V3BJBT4P2CH2

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