Frontiers in Computational Chemistry

Volume: 8

Recent Advances in In-Silico Drug Repurposing: Leveraging Computational Tools for Enhanced Therapeutic Discovery

Author(s): Jaimini Patoliya, Khushali Thaker and Rushikesh Joshi *

Pp: 11-70 (60)

DOI: 10.2174/9798898812164125080004

* (Excluding Mailing and Handling)

Abstract

Drug repurposing, or repositioning, is a key strategy in biomedical innovation, leveraging existing approved drugs for new therapeutic uses. This approach significantly cuts development costs and shortens the lengthy traditional drug approval timelines. This approach is especially valuable for rare diseases, addressing unmet needs by overcoming the high costs and challenges of developing new treatments. Drug repurposing optimises drug utility and strategically allocates limited research resources. In silico techniques have unlocked extraordinary opportunities in this domain, offering a pathway to identify and validate new therapeutic indications. This can expand treatment options and greatly improve the precision of targeted therapies. The field of drug development has undergone an enormous shift with the introduction of in silico techniques. Advanced computational techniques, such as artificial intelligence (AI), machine learning (ML), and chemo-informatics, have driven a paradigm shift in identifying and developing new drug applications. These technologies use vast databases and advanced bioinformatics to uncover elusive drug-target interactions. Tools like Reactome and the Kyoto Encyclopaedia of Genes and Genomes (KEGG) have proven to unravel the complex interactions governing drug efficacy. The focus on a holistic approach, integrating diverse sets of biological, clinical, and epidemiological data, has been instrumental in opening new avenues for repurposing opportunities. Success stories highlight the impact of in silico drug repurposing, showcasing its role in meeting unmet medical needs and transforming therapeutic development. While in silico drug repurposing prospects are undeniably promising, the field is not without its challenges. The conclusion explores current challenges and potential solutions, highlighting how innovative computational approaches can revolutionise drug development, enhancing efficiency, cost-effectiveness, and speed. The ultimate aim is to advance personalised medicine and improve patient care with unprecedented precision.


Keywords: Bioinformatics tools, FDA approved drugs, Pharmaceutical repositioning, Precision therapies, Therapeutic innovation.

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