Molecular docking and ADMET studies of soluble epoxide hydrolase inhibitors from the leaves of Paederia foetida L.

Authors

  • Quang-Huan Duong Hanoi Pedagogical University 2, 32 Nguyen Van Linh, Phuc Yen, Vinh Phuc, Vietnam
  • Minh-Quan Pham bInstitute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Hanoi, Vietnam cGraduate University of Science and Technology, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Hanoi, Vietnam
  • Hong-Minh Pham Thi Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Hanoi, Vietnam
  • Thuy-Huong Le Thi Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Hanoi, Vietnam
  • Viet-Hai Ha Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, Hanoi, Vietnam
  • Ngoc-Linh Nguyen Faculty of Training Bachelor of Practice, Thanh Do University, Kim Chung, Hoai Duc, Ha Noi, Viet Nam
  • Thi-Mien Tran Division of Academic Affarirs and Proffssional Development, People's Police University of Technology and Logistics, Thuan Thanh, Bac Ninh
  • Panyakeo Yuenf fFaculty of Natural Sciences & Technology, Tay Bac University, Chu Van An, Quyet Tam, Son La
  • Van-Dung Nguyen Faculty of Natural Sciences & Technology, Tay Bac University, Chu Van An, Quyet Tam, Son La
  • Anh-Hung Nguyen Hanoi Pedagogical University 2, 32 Nguyen Van Linh, Phuc Yen, Vinh Phuc, Vietnam

DOI:

https://doi.org/10.56764/hpu2.jos.2022.2.1.32-43

Abstract

Cardiovascular diseases are one of the leading cause of mortality and morbidity worldwide. Although many efforts have been made in the drug discovery and development process through decades, the number of approved drugs has been declining. In the recent years, soluble epoxide hydrolase (sEH) has been considered as promising target for drug development since inhibiting sEH function would prevent the formation of arterial thrombosis. Paederia foetida L. is a folk medicine distributed commonly in Vietnam which is well known for its uses in the treatment of various diseases. This study conducted in silico assessment of 21 isolated compounds from leaves of Paederia foetida L. against sEH enzyme for potential inhibition activity. Obtained results demonstrated that compound 4 and 9 could be potent, safe and novel inhibitors based on docking conformation and druglikeness properties.

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Published

28-12-2022

How to Cite

Duong, Q.-H. ., Pham, M.-Q. ., Pham Thi, H.-M. ., Le Thi, T.-H. ., Ha, V.-H. ., Nguyen, N.-L. ., Tran, T.-M. ., Panyakeo Yuenf, Nguyen, V.-D. ., & Nguyen, A.-H. . (2022). Molecular docking and ADMET studies of soluble epoxide hydrolase inhibitors from the leaves of Paederia foetida L. HPU2 Journal of Science: Natural Sciences and Technology, 1(2), 32–43. https://doi.org/10.56764/hpu2.jos.2022.2.1.32-43

Volume and Issue

Vol. 1 No. 2 (2022): HPU2.Nat.Sci.Tech

Section

Natural Sciences and Technology