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

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Book cover Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

Part of the book series: Challenges and Advances in Computational Chemistry and Physics ((COCH,volume 27))

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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.

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Acknowledgements

The authors would like to thank Dr. C. Ramakrishnan, Postdoctoral Fellow, Department of Biotechnology, Indian Institute of Technology Madras, Chennai, for his kind help in the revising of the manuscript.

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  1. CAS in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, 600025, Tamil Nadu, India

    D. Velmurugan, N. H. V. Kutumbarao & V. Viswanathan

  2. Department of Biotechnology & Bioinformatics, North-Eastern Hill University, Umshing Mawkynroh, Shillong, 793022, India

    Atanu Bhattacharjee

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    C. Gopi Mohan

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Velmurugan, D., Kutumbarao, N.H.V., Viswanathan, V., Bhattacharjee, A. (2019). Structure-Based Drug Design with a Special Emphasis on Herbal Extracts. In: Mohan, C. (eds) Structural Bioinformatics: Applications in Preclinical Drug Discovery Process. Challenges and Advances in Computational Chemistry and Physics, vol 27. Springer, Cham. https://doi.org/10.1007/978-3-030-05282-9_9

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