Tea catechin as antiviral agent via apoptosis agonist and triple inhibitor mechanism against HIV-1 infection: A bioinformatics approach

Viol Dhea Kharisma, Muhammad Hermawan Widyananda, Arif Nur Muhammad Ansori, Aondohemba Samuel Nege, Sin War Naw, Alexander Patera Nugraha

Research output: Contribution to journalArticlepeer-review

38 Citations (Scopus)

Abstract

Context: Human immunodeficiency virus (HIV) antiretrovirals that target the binding of viral enzyme are chosen as the lead solution in the treatment of HIV-1 infection, such as non-catalytic site integrase inhibitor (NCINI), nevirapine, and darunavir. There are natural compounds from specific plants that can be effective in treating HIV-1 infection such as tea catechin. Tea catechin administration causes a decrease in viral load and inhibition of entry mechanisms and an increased effect of apoptosis in infected cells. Aims: To identify the triple inhibitor mechanism in tea catechins against the three HIV-1 enzymes and apoptosis agonists through in silico approach as an innovation in handling HIV-1 infection. Methods: The 3D structure of tea catechin compounds from the database was examined, and then all target compounds were analyzed for druglikeness, molecular docking, pathway prediction, and molecular interactions to determine the potential of tea catechin compounds as antiviral HIV-1 in silico. Results: Tea catechin compounds have the potential to serve as antiviral against HIV-1 through apoptosis agonist and triple inhibitor mechanisms. Apoptosis occurs due to the interaction of tea catechins with pro-apoptotic proteins in cells, and the epigallocatechin gallate (EGCG) compound is a class of tea catechins with the same binding position as control. Conclusions: The binding of the EGCG molecule complex results in low binding energy. Therefore, it allows EGCG acts as a triple inhibitor in HIV-1 infection.

Original languageEnglish
Pages (from-to)435-445
Number of pages11
JournalJournal of Pharmacy and Pharmacognosy Research
Volume9
Issue number4
Publication statusPublished - Jul 2021

Keywords

  • Antiretrovirals
  • Apoptosis
  • Catechin
  • Herbal medicine
  • Human immunodeficiency virus

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