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Virtual Screening Process: A Guide in Modern Drug Designing

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Computational Drug Discovery and Design

Part of the book series: Methods in Molecular Biology ((MIMB,volume 2714))

Abstract

Due to its capacity to drastically cut the cost and time necessary for experimental screening of compounds, virtual screening (VS) has grown to be a crucial component of drug discovery and development. VS is a computational method used in drug design to identify potential drugs from enormous libraries of chemicals. This approach makes use of molecular modeling and docking simulations to assess the small molecule’s ability to bind to the desired protein. Virtual screening has a bright future, as high computational power and modern techniques are likely to further enhance the accuracy and speed of the process.

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Acknowledgments

UP, AM, and SKS thankfully acknowledge the DST-PURSE 2nd Phase Programme grant [No. SR/PURSE Phase 2/38 (G); DST-FIST Grant [(SR/FST/LSI—667/2016)]; MHRD RUSA-Phase 2.0 grant sanctioned vide Letter no. [F.24‐51/2014‐U, Policy (TN Multi‐Gen), Department of Education, Govt of India]; Tamil Nadu State Council for Higher Education (TANSCHE) under [No. AU: S.O. (P&D): TANSCHE Projects: 117/ 202, File No. RGP/2019‐20/ALU/ HECP‐0048]; DBT-BIC, New Delhi, under Grant/Award [No. BT/PR40154/BTIS/137/ 34/2021, dated 31.12.2021]; and DBT-NNP Project, New Delhi, under Grant/Award [No. BT/PR40156/BTIS/54/2023 dated 06.02.2023] for providing the research grant and infrastructure facilities in the lab. CS thankfully acknowledge the Saveetha University for providing the infrastructure facilities to perform this work. MAK thankfully acknowledge the Alagappa University for providing the RUSA 2.0 Senior Research Fellowship [Alu/RUSA/SRF-Bioinformatics/4156/2022 dated 30.11.2022].

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Authors and Affiliations

  1. Computer Aided Drug Design and Molecular Modelling Lab, Department of Bioinformatics, Science Block, Alagappa University, Karaikudi, Tamil Nadu, India

    Umesh Panwar, Aarthy Murali, Mohammad Aqueel Khan & Sanjeev Kumar Singh

  2. Department of Data Sciences, Centre of Biomedical Research, SGPGIMS Campus, Lucknow, Uttar Pradesh, India

    Sanjeev Kumar Singh

  3. Center for Transdisciplinary Research, Department of Pharmacology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, Tamil Nadu, India

    Chandrabose Selvaraj

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  1. Umesh Panwar
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  2. Aarthy Murali
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  3. Mohammad Aqueel Khan
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  4. Chandrabose Selvaraj
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  5. Sanjeev Kumar Singh
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Editors and Affiliations

  1. Department of Basic and Applied Sciences, Dayananda Sagar University, Bangalore, Karnataka, India

    Mohini Gore

  2. Department of Botany, Rajaram College Kolhapur, Kolhapur, Maharashtra, India

    Umesh B. Jagtap

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Panwar, U., Murali, A., Khan, M.A., Selvaraj, C., Singh, S.K. (2024). Virtual Screening Process: A Guide in Modern Drug Designing. In: Gore, M., Jagtap, U.B. (eds) Computational Drug Discovery and Design. Methods in Molecular Biology, vol 2714. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-3441-7_2

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  • DOI: https://doi.org/10.1007/978-1-0716-3441-7_2

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