• Uma Kumari (First Author)
• Prahalad Krishnakumar (first Author)

ABSTRACT:Gastrointestinal stromal tumors (GISTs) present a formidable challenge in cancer management due to their origin in the digestive system, primarily affecting the stomach and small intestine. While the etiology of GISTs remains multifaceted, a significant portion is linked to genetic mutations, particularly in the KIT and PDGFRA genes, driving aberrant cell proliferation. Traditional treatment approaches often involve surgery and targeted therapies, with tyrosine kinase inhibitors (TKIs) like imatinib revolutionizing GIST management by targeting underlying molecular abnormalities. Despite advancements, challenges such as drug resistance persist, necessitating innovative therapeutic strategies.In recent years, computer-aided drug design (CADD) has emerged as a promising avenue for optimizing GIST therapy. Through computational techniques, researchers expedite drug discovery, enhance rational drug design, and overcome traditional drug development hurdles. This review explores the molecular mechanisms of GIST pathogenesis, emphasizing KIT and PDGFRA mutations, alongside the principles and applications of CADD in identifying therapeutic targets and designing inhibitors. Structural and ligand-based drug design methods, coupled with advanced computational tools like molecular docking and homology modeling, underscore the potential of CADD in revolutionizing GIST therapy. Challenges such as drug efficacy optimization, off-target effects minimization, and drug resistance mitigation are discussed, alongside opportunities for translating CADD-driven discoveries into clinical applications. Recent advancements in the field highlight CADD's role in personalized medicine and precision oncology for GIST patients. Through interdisciplinary collaboration and technological innovation, CADD offers a promising pathway towards improving GIST patient outcomes and advancing cancer management. This paper provides a comprehensive overview of the synergy between molecular biology, computational drug design, and clinical oncology in the pursuit of effective targeted therapies for GISTs. Tools utilized in this research include RasMol, PDBSum, PyMOL, CB-Dock2, PROCHECK, COBALT, STRING, and others, facilitating structural analysis, protein-ligand docking, molecular visualization, and protein-protein interaction prediction.

Gastrointestinal stromal tumors (GISTs); Computer-aided drug design (CADD); Molecular docking; Protein-ligand interaction; Structural analysis; Precision oncology

"ANALYSIS OF GASTRO-INTESTINAL STROMAL TUMOR BY COMPUTER AIDED DRUG DESIGNING AND BIOINFORMATICS TOOLS ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.11, Issue 2, page no.c56-c65, February-2024, Available :http://www.jetir.org/papers/JETIR2402210.pdf

"ANALYSIS OF GASTRO-INTESTINAL STROMAL TUMOR BY COMPUTER AIDED DRUG DESIGNING AND BIOINFORMATICS TOOLS ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.11, Issue 2, page no. ppc56-c65, February-2024, Available at : http://www.jetir.org/papers/JETIR2402210.pdf