Modern Computer-aided Drug Design Methods: A Review

Year : 2024 | Volume : 15 | Issue : 02 | Page : 14 20
    By

    Mohd. Wasiullah,

  • Piyush Yadav,

  • Anand Prakash,

  • Satish Kumar Yadav,

  • Mr. Sushil Yadav,

  1. Professor, Principal, Department of Pharmacy, Prasad Institute of Technology, Uttar Pradesh, India
  2. Professor, Academic Head, Department of Pharmacy, Prasad Institute of Technology, Uttar Pradesh, India
  3. Student, Department of Pharmacy, Prasad Institute of Technology, Uttar Pradesh, India
  4. Associate Professor, Department of Pharmacy, Prasad Institute of Technology, Uttar Pradesh, India
  5. Lecturer, Department of Pharmacy, Prasad Institute of Technology, Uttar Pradesh, India

Abstract

Computer-aided drug design (CADD) has emerged as a crucial tool in the drug discovery process, offering a time-efficient and cost-effective approach to identifying potential drug candidates. This review aims to provide an overview of modern CADD methods, including high-throughput screening (HTS), structure-based drug design (SBDD), ligand-based drug design (LBDD), structure-based virtual screening (SBVS), and ligand-based virtual screening (LBVS). We discuss the basic principles, applicability, and limitations of each method, highlighting their advantages and disadvantages. The review also explores the role of computational tools in improving the efficiency and effectiveness of the drug discovery and development pipeline.

Keywords: Computer-Aided Drug Design, CADD methods, molecular docking, pharmacophore modelling, virtual screening, molecular dynamics simulations, machine learning, artificial intelligence, drug discovery, challenges, advancements, emerging trends.

[This article belongs to Research & Reviews: A Journal of Dentistry ]

How to cite this article:
Mohd. Wasiullah, Piyush Yadav, Anand Prakash, Satish Kumar Yadav, Mr. Sushil Yadav. Modern Computer-aided Drug Design Methods: A Review. Research & Reviews: A Journal of Dentistry. 2024; 15(02):14-20.
How to cite this URL:
Mohd. Wasiullah, Piyush Yadav, Anand Prakash, Satish Kumar Yadav, Mr. Sushil Yadav. Modern Computer-aided Drug Design Methods: A Review. Research & Reviews: A Journal of Dentistry. 2024; 15(02):14-20. Available from: https://journals.stmjournals.com/rrjod/article=2024/view=156805


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Regular Issue Subscription Review Article
Volume 15
Issue 02
Received 15/05/2024
Accepted 20/05/2024
Published 20/07/2024
246

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