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Influence of Computational Bioinformatics Tools on Drug Discovery

Sayeed Baig, Rishitha Rasineni, Sowmya PR, Vaibhav M

Abstract


The discovery and development of new drugs face significant hurdles, characterized by extended timelines, immense financial costs, and high rates of clinical failure. This paper reviews the transformative impact of bioinformatics and computational methodologies on the pharmaceutical research pipeline. By integrating big data from genomics, proteomics, and chemical libraries with advanced analytical tools, bioinformatics is fundamentally streamlining target identification, lead optimization, and preclinical assessment. Key applications include Structure-Based Drug Design (SBDD) and Virtual Screening (VS), which computationally predict drug-target binding affinity, thereby reducing the need for extensive wet-lab synthesis. Furthermore, predictive models for ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) allow for early-stage filtering of candidates, significantly lowering attrition rates. Finally, bioinformatics drives drug repositioning, a rapid, cost-effective strategy utilizing existing drugs for new therapeutic applications. This review demonstrates that these tools are essential for  accelerating the development of safer and more effective therapeutic agents.


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References


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