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Research & Reviews: A Journal of Drug Design & Discovery Review Article

Review on Computer-Aided Drug Design in RAS Inhibitor Discovery

  1. Mohd. Wasiullah Department of Pharmacy, Prasad Institute of Technology
  2. Piyush Yadav Department of Pharmacy, Prasad Institute of Technology
  3. Alqama Zehra Department of Pharmacy, Prasad Institute of Technology
  4. Satish Kumar Yadav Department of Pharmacy, Prasad Institute of Technology
  5. Sushil Yadav Department of Pharmacy, Prasad Institute of Technology

Abstract

This review explores the utilization of computer-aided drug design (CADD) methodologies in the discovery of inhibitors targeting the RAS pathway, a pivotal signaling cascade implicated in various cancers. Through an extensive examination of computational tools, methodologies, challenges, and recent advancements, this review aims to provide insights into the role of CADD in accelerating RAS inhibitor discovery. The discovery of effective inhibitors targeting the RAS pathway is of paramount importance in cancer therapeutics, given the critical role of RAS proteins in oncogenesis. Computer-aided drug design (CADD) methodologies have emerged as indispensable tools in accelerating the identification and optimization of RAS inhibitors. This review provides a comprehensive overview of the applications of CADD in RAS inhibitor discovery, encompassing molecular modeling, virtual screening, machine learning, and structural biology techniques. Through an exploration of recent advancements, challenges, and opportunities in the field, this review aims to elucidate the potential of CADD in driving innovation and accelerating the development of novel therapeutics for RAS- driven cancers.

Keywords

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