EC Pharmacology And Toxicology

Research Article Volume 13 Issue 4 - 2025

In Silico Approach for Exploring Chemotherapeutic Agents and Monoclonal Antibody as TNIK Inhibitors in Colorectal Cancer

Deepak Bhattacharya1, Chandra Sekhar Tripathy2, U S Mahadev Rao3*, Kavita Chenania4, Asadollah Asadi5, Kalandar Ameer6, Mohamed Jalaludeen Abdulkadhar7 and Vinoth Kumar Selvaraj8

1Policy, Critical Nursing, Drug Discovery; Medicinal Toxicology & QC, At: Sri Radha Krishna Raas Mandir, Kedar Gouri Main Road, Bhubaneswar, Odisha, India
2Department of Botany, Centurion University of Technology and Management, Bhubaneswar, Odisha, India
3School of Basic Medical Sciences, Faculty of Medicine, Kampus Perubatan, Universiti Sultan Zainal Abidin, Kuala Terengganu, Malaysia
4Department of Obstetrics and Gynaecology, IMS and SUM Hospital, Bhubaneswar, Odisha, India
5Department of Biology, University of Mohaghegh, Ardabili, Iran
6Faculty of Medicine, AIMST University, Bedong-Kedah, Malaysia
7Crescent Global Outreach Mission Research and Development, B. S. Abdur Rahman Crescent Institute of Science and Technology, Chennai, Tamil Nadu, India
8Faculty of Medicine, AIMST University, Bedong-Kedah, Malaysia
*Corresponding Author: U S Mahadev Rao, Professor, School of Basic Medical Sciences, Faculty of Medicine, Kampus Perubatan, Universiti Sultan Zainal Abidin, Kuala Terengganu, Malaysia.
Received: March 18, 2025 Published: March 25, 2025



Colorectal cancer remains a leading cause of cancer-related deaths globally, with treatment resistance presenting a significant challenge. TNIK (TRAF2 and NCK Interacting Kinase) is a key regulator of Wnt/β-catenin signaling, frequently dysregulated in CRC, contributing to tumor progression and chemoresistance. This study was designed to assess the interaction of commercially available chemotherapeutic agents, such as capecitabine, irinotecan, 5-fluorouracil (5-FU), tipiracil, paclitaxel, trifluridine, leucovorin, and carboplatin, and the monoclonal antibody bevacizumab with TNIK using in silico approach. Docking results revealed that Irinotecan exhibited the highest binding affinity among chemotherapeutic agents, while Bevacizumab showed the strongest overall interaction with TNIK, suggesting a potential alternative mechanism beyond VEGF inhibition. Capecitabine and 5-FU demonstrated moderate binding, supporting their established roles in CRC therapy. Toxicity predictions classified capecitabine, irinotecan, and 5-FU as non-toxic, whereas tipiracil, paclitaxel, and trifluridine required careful administration due to potential adverse effects. These findings suggest that targeting TNIK could enhance the efficacy of existing CRC treatments, potentially overcoming drug resistance. The in silico approach provides valuable insights into repurposing these agents for TNIK inhibition, warranting further pre-clinical validation. Future research on TNIK inhibition may lead to novel combination therapies, improving treatment outcomes and expanding therapeutic options for CRC patients.

 Keywords: Colorectal Cancer; Chemotherapy; Monoclonal Antibody; TNIK; Drug Discovery

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U S Mahadev Rao., et al “In Silico Approach for Exploring Chemotherapeutic Agents and Monoclonal Antibody as TNIK Inhibitors in Colorectal Cancer”. EC Pharmacology and Toxicology   13.4 (2025): 01-10.

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