An In Silico Study to Explore the Role of EGFR in Ovarian Cancer

Vikash Jakhmola; Tarun Parashar; Pallavi Ghildiyal; ANM Ansori; Rajeev Kumar Sharma; N. G. Raghavendra Rao; Kapil Kalra; Nishan Singh; Nidhi Nainwal; Rajeev Kumar Singh; M. P Singh; Vishwadeepak Kimothi; Alok Bhatt; Ashish Dimri; Ravi Kumar; Amit Semwal; Nur Sofiatul Aini; Maksim Rebezov

An In Silico Study to Explore the Role of EGFR in Ovarian Cancer

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Pharmacognosy Journal,2022,14,6,817-821.

DOI:10.5530/pj.2022.14.173

Published:December 2022

Type:Research Article

An In Silico Study to Explore the Role of EGFR in Ovarian Cancer

Vikash Jakhmola^1,*, Tarun Parashar¹, Pallavi Ghildiyal¹, ANM Ansori², Rajeev Kumar Sharma³, N. G. Raghavendra Rao⁴, Kapil Kalra⁵, Nishan Singh⁶, Nidhi Nainwal¹, Rajeev Kumar Singh⁷, M. P Singh⁸, Vishwadeepak Kimothi⁹, Alok Bhatt¹⁰, Ashish Dimri¹¹, Ravi Kumar¹, Amit Semwal¹, Nur Sofiatul Aini¹², Maksim Rebezov^13,14,15

¹Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA.

²Professor Nidom Foundation, Surabaya, INDONESIA.

³School of Pharmaceutical and population health informatics, DIT University, INDIA.

⁴Professor, Kiet School Of Pharmacy, Kiet Group Of Institutions. Delhi-Ncr, Meerut Road, Ghaziabad - 201206 Uttar Pradesh, India

⁵Alpine College of Management and Technology Dehradun, Uttarakhand, INDIA.

⁶Srajan Institute of Pharmacy, Lakhimpur Kheri, Uttar Pradesh, INDIA.

⁷Apex Institute of Pharmacy, Samaspur, Chunar, Mirzapur Uttar Pradesh, INDIA.

⁸School of Agriculture, Uttaranchal University, Dehradun, Uttarakhand, INDIA.

⁹Himalayan Institute of Pharmacy and Research Dehradun, Uttarakhand, INDIA.

¹⁰School of Pharmaceutical Sciences, Himgiri Zee University, Dehradun, Uttarakhand, INDIA.

¹¹GRD(PG) IMT Dehradun, Uttarakhand, INDIA.

¹²Faculty of Mathematics and Natural Sciences, State University of Surabaya, Surabaya, INDONESIA.

¹³Department of Scientific Research, Russian State Agrarian University - Moscow Timiryazev Agricultural Academy, Moscow, RUSSIAN FEDERATION.

¹⁴Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION.

¹⁵Department of Scientific Research, K.G. Razumovsky Moscow State University of technologies and management (The First Cossack University), Moscow, RUSSIAN FEDERATION.

Abstract:

EGFR is a tyrosine kinase receptor that has a role in the tumorigenesis of many types of solid tumors. Aberrantly phosphorylated or overexpressed EGFR is associated with cellular proliferation, prevention of apoptosis, activation of invasion and metastasis, and stimulation of tumor-induced neovascularization. EGFR’s hyperactivity has been observed in ovarian cancer. Although conventional chemotherapy and surgery for advanced ovarian cancer have improved over the years, still there is a critical need for the development of molecular targeted therapies. The major challenge for this approach is the complete understanding of the protein structure of this mega receptor. In this study, we explored this receptor using in silico tools. The protein structure of the EGFR kinase domain (PDB ID: 1M17) and co-crystal containing EGFR and PTP1B kinase domain fragment (PDB ID: 3I7Z) were obtained from the RCSB Protein Data Bank. We performed protein-protein docking using BioLuminate. It was found in this study that the DADEYL segment of EGFR (position 988-993) which includes autophosphorylated tyrosine at position 992, is the segment that is responsible for the overexpression of this receptor in ovarian cancer. There are currently two main classes of clinically-approved drugs which downregulate EGFR activity; tyrosine kinase inhibitors (TKIs) and monoclonal antibodies (Mabs). However, treatment with both type of therapies has been met with shortcomings. Therefore, there is a need for further studies to explore the suitable ligands that can downregulate its activity.

Keywords:EGFR, In silico study, Protein-protein docking, Tyrosine kinases

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Illustration describing endogenous ligands of EGFR and other receptors from the ErbB family

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Jakhmola V, Parashar T, Ghildiyal P, Ansori AN, Sharma RK, Rao N., et al. An In Silico Study to Explore the Role of EGFR in Ovarian Cancer. Pharmacognosy Journal. 2022;14(6):817-821.

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An In Silico Study to Explore the Role of EGFR in Ovarian Cancer

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An In Silico Study to Explore the Role of EGFR in Ovarian Cancer

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