In-Silico Studies of KRAS, CALML3, ERBB3, CRABP1, RRP7A Proteins Involved in Gastric Cancer

Gastric cancer is the third leading cause of global cancer-related mortality and is challenging to manage due to genetic risk factors, tumour heterogeneity, and metastatic progression. In this study, five proteins- RRPA7, ERBB3, CALML3, CRABP1, and KRAS- were selected as they play a crucial role in tumour growth and survival through cell cycle regulation, signal transduction, and retinoic acid metabolism. The proteins were retrieved from NCBI and UniProtKb. Sequence similarity was analysed using BLAST, and multiple sequence alignment was performed using Clustal Omega. Three- dimensional structures were generated using SWISS-MODEL and validated using SAVES v6.0.The Active site prediction was carried out using CASTp and molecular docking was performed using PyRx (AutoDock Vina). Protein–ligand interactions were analysed using BIOVIA Discovery Studio. The generated models of gastric cancer–associated proteins demonstrated structural stability with acceptable validation parameters. Molecular docking studies with Irinotecan, 5-fluorouracil, Apatinib, and trifluridine predicted favourable binding positions, interaction patterns, and binding affinities. The results indicating that these targets are suitable for further therapeutic investigation. However, further experimental validation is required to confirm and validate the computational studies.