Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds

Ram Krishna; Mohammad Ajmal Ali; Joongku Lee

doi:10.6026/97320630019981

Molecular docking analysis of HSV-1 proteins models with synthetic and plant derived compounds

Bioinformation. 2023 Sep 30;19(9):981-986. doi: 10.6026/97320630019981. eCollection 2023.

Authors

Ram Krishna¹, Mohammad Ajmal Ali², Joongku Lee³

Affiliations

¹ ICAR-Indian Institute of Vegetable Research, Varanasi-221005, Uttar Pradesh, India.
² Department of Botany and Microbiology, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.
³ Department of Environment and Forest Resources, Chungnam National University, Daehak-ro, Yuseong-gu, Daejeon, Republic of Korea.

Abstract

The atomic resolution model of US9, UL20, and gH protein of HSV is known. Hence, the ligand protein interaction of the US9, UL20, and gH protein models were carried out with synthetic drugs like acyclovir, bexarotene, vinorelbine, foscarnet, famciclovir, cidofovir and two plant derived natural drug acacetin and anthraquinone. Based on structure and docking study, it is predicted that protein US20 and gH binds with particular anti-HSV drug i.e. acyclovir, cidofovir, acacetin and famciclovir, acacetin respectively, while interaction of different protein is different with drugs.

Keywords: HSV; acyclovir; anthraquinone.; anti-HSV drug.