Evaluating the pentapharmacological potency of otamixaban against lung cancer CDK2, transferase, oxidoreductase and signalling proteins.

ABSTRACT: Lung cancer remains the leading cause of cancer-related mortality worldwide. With approximately 2.2 million new cases and 1.8 million deaths annually, it contributes to 18% of all cancer fatalities. The high mortality rate, limited accessibility to affordable treatments, and the emergence of drug resistance necessitated the development of novel therapeutic strategies. In this study, we employed an HTVS, SP and XP-based molecular docking and MM/GBSA calculations to identify a potential multitargeted drug candidate from the DrugBank library against five key (Penta) lung cancer-associated proteins, including CDK2 (1AQ1), Transferase(1JWH, 1K3A), Oxidoreductase (4XZL) and Signalling (2DVJ) enzymes that led to the identification of Otamixaban, exhibiting favourable docking and MM/GBSA scores ra

SUBMITTER: Baeissa HM 

PROVIDER: S-EPMC12510531 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature