From sequence analysis of DPP-4 to molecular docking based searching of its inhibitors

Awad Saeed Alsamghan; Afaf S Alwabli; Mohammed Abadi; Safar A Alsaleem; Dalia Mohammed Anbari; Amani Saleh Alomari; Othman Alzahrani; Qamre Alam; Mohammed Tarique

doi:10.6026/97320630016444

From sequence analysis of DPP-4 to molecular docking based searching of its inhibitors

Bioinformation. 2020 Jun 30;16(6):444-451. doi: 10.6026/97320630016444. eCollection 2020.

Authors

Awad Saeed Alsamghan¹, Afaf S Alwabli², Mohammed Abadi¹, Safar A Alsaleem¹, Dalia Mohammed Anbari³, Amani Saleh Alomari³, Othman Alzahrani^{4

5}, Qamre Alam⁶, Mohammed Tarique⁷

Affiliations

¹ Department of Family and Community Medicine, College of Medicine, King Khalid University, Abha, KSA-61421.
² Department of Biological Sciences, Faculty of Science, King Abdulaziz University, Jeddah 21589, Kingdom of Saudi Arabia.
³ Department of Biochemistry, Faculty of Science, King Abdulaziz University, Jeddah 21589, Kingdom of Saudi Arabia.
⁴ Department of Biology, Faculty of Sciences, University of Tabuk, Tabuk 71491, Kingdom of Saudi Arabia.
⁵ Genome and Biotechnology Unit, University of Tabuk, Tabuk 71491, Kingdom of Saudi Arabia.
⁶ Medical Genomics Research Department, King Abdullah International Medical Research Center, King Saud bin Abdulaziz University for Health Sciences, Ministry of National Guard Health Affairs, Riyadh, Kingdom of Saudi Arabia.
⁷ Center for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, Jamia Nagar, New Delhi-110025, India.

Abstract

Literature data suggests that Dipeptidyl peptidase-4 (DPP-4) is a potential target for type 2 Diabetes Mellitus. Therefore, it is of interest to identify new DPP-4 inhibitors using molecular docking analysis. We document compounds such as STOCK1N-98884, STOCK1N-98881, and STOCK1N-98866 with optimal binding features with DPP-4 from the ligand database at https://www.ibscreen.com/ for further consideration.

Keywords: DPP-4; GLP-1; diabetes; docking analysis; inhibitor.