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Insights from the molecular docking analysis of EGFR antagonists



Mohammad Azhar Kamal1, Hanadi M Baeissa2, Israa J. Hakeem2, Reem S Alazragi2, Mohannad S. Hazzazi3,4, Tahani Bakhsh5, Akhmed Aslam6, Bassem Refaat6, Elshiekh B. Khidir6, Kadhem Juma Alkhenaizi7 & Qamre Alam7*



1Department of Pharmaceutics, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Alkharj 11942, Saudi Arabia; 2Department of Biochemistry, College of Science, University of Jeddah, Jeddah, Saudi Arabia; 3Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, King Abdulaziz University, Jeddah 22254, Saudi Arabia; 4Hematology Research Unit, King Fahad Medical Research Center, King Abdulaziz University, Jeddah 22254, Saudi Arabia; 5Department of Biology, College of Science, University of Jeddah, Jeddah, Saudi Arabia, P.O. Box 80327, Jeddah 21589; 6Laboratory Medicine Department, Faculty of Applied Medical Sciences, Umm Al-Qura University, Makkah, Saudi Arabia; 7Molecular Genomics and Precision Medicine, ExpressMed Laboratories, Block, 359, Zinj, Kingdom of Bahrain; *Corresponding author:



Mohammad Azhar Kamal – Email: ma.kamal@psau.edu.sa

Hanadi M Baeissa – Email: hmbaeissa@uj.edu.sa

Israa J. Hakeem – Email: ijhakeem@uj.edu.sa

Reem S Alazragi – Email: rsalazragi@uj.edu.sa

Mohannad S. Hazzazi – Email: mshazzazi@kau.edu.sa

Tahani Bakhsh– Email: tahanibakhsh@hotmail.com

Akhmed Aslam – Email: maaslam@uqu.edu.sa

Bassem Refaat – Email: Barefaat@uqu.edu.sa

Elshiekh B. Khidir – Email: ebkhidir@uqu.edu.sa

Kadhem Juma Alkhenaizi – Email: kalkhenaizi@expressmedlabs.com

Qamre Alam – Email: alamqa2022@gmail.com; qamrealam@expressmedlabs.com


Article Type

Research Article



Received March 1, 2023; Revised March 31, 2023; Accepted March 31, 2023, Published March 31, 2023



Overexpression of the epidermal growth factor receptor (EGFR) has been shown to be a critical factor in tumor development and cancer progression. Although established EGFR inhibitors have been effective in the treatment of cancer, they are associated with several side effects. As a result, there is an urgent need to develop novel EGFR inhibitors that can effectively target the receptor while causing no adverse side effects. Here, the bioactive compounds of Glycyrrhiza glabra and established EGFR inhibitors have been screened against the EGFR catalytic site. The compounds LTS0058805, LTS0114552, LTS0128805, LTS0174203, LTS0007447, and LTS0164690 exhibited binding energies to the EGFR that were comparable to those of established EGFR inhibitors. Further, these hit compounds were observed to interact with critical residues of the EGFR, suggesting their potential as inhibitors of the receptor. In addition, these hits possess good drug-like properties and merit further exploration for their potential application in cancer management.



Cancer, Glycyrrhiza glabra, bioactive compounds, cancer, EGFR



Kamal et al. Bioinformation 19(3): 260-265 (2023)


Edited by

P Kangueane






Biomedical Informatics



This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.