Tea catechin as antiviral agent via apoptosis agonist and triple inhibitor mechanism against HIV-1 infection: A bioinformatics approach.
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 drug-likeness, 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..
Medienart: |
E-Artikel |
---|
Erscheinungsjahr: |
2021 |
---|---|
Erschienen: |
2021 |
Enthalten in: |
Zur Gesamtaufnahme - volume:9 |
---|---|
Enthalten in: |
Journal of Pharmacy & Pharmacognosy Research - 9(2021), 4, Seite 435-445 |
Sprache: |
Englisch ; Spanisch |
---|
Beteiligte Personen: |
Viol Dhea Kharisma [VerfasserIn] |
---|
Links: |
doaj.org [kostenfrei] |
---|
Themen: |
Antiretrovirals |
---|
Förderinstitution / Projekttitel: |
|
---|
PPN (Katalog-ID): |
DOAJ063124610 |
---|
LEADER | 01000caa a22002652 4500 | ||
---|---|---|---|
001 | DOAJ063124610 | ||
003 | DE-627 | ||
005 | 20230309024955.0 | ||
007 | cr uuu---uuuuu | ||
008 | 230228s2021 xx |||||o 00| ||eng c | ||
035 | |a (DE-627)DOAJ063124610 | ||
035 | |a (DE-599)DOAJ76b0240f98ac42cc9f60860b017ce475 | ||
040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
041 | |a eng |a spa | ||
050 | 0 | |a RM1-950 | |
050 | 0 | |a RS1-441 | |
100 | 0 | |a Viol Dhea Kharisma |e verfasserin |4 aut | |
245 | 1 | 0 | |a Tea catechin as antiviral agent via apoptosis agonist and triple inhibitor mechanism against HIV-1 infection: A bioinformatics approach. |
264 | 1 | |c 2021 | |
336 | |a Text |b txt |2 rdacontent | ||
337 | |a Computermedien |b c |2 rdamedia | ||
338 | |a Online-Ressource |b cr |2 rdacarrier | ||
520 | |a 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 drug-likeness, 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. | ||
650 | 4 | |a antiretrovirals | |
650 | 4 | |a apoptosis | |
650 | 4 | |a catechin | |
650 | 4 | |a herbal medicine | |
650 | 4 | |a human immunodeficiency virus | |
653 | 0 | |a Therapeutics. Pharmacology | |
653 | 0 | |a Pharmacy and materia medica | |
700 | 0 | |a Muhammad Hermawan Widyananda |e verfasserin |4 aut | |
700 | 0 | |a Arif Nur Muhammad Ansori |e verfasserin |4 aut | |
700 | 0 | |a Aondohemba Samuel Nege |e verfasserin |4 aut | |
700 | 0 | |a Sin War Naw |e verfasserin |4 aut | |
700 | 0 | |a Alexander Patera Nugraha |e verfasserin |4 aut | |
773 | 0 | 8 | |i In |t Journal of Pharmacy & Pharmacognosy Research |d GarVal Editorial Ltda., 2015 |g 9(2021), 4, Seite 435-445 |w (DE-627)DOAJ000016683 |x 07194250 |7 nnns |
773 | 1 | 8 | |g volume:9 |g year:2021 |g number:4 |g pages:435-445 |
856 | 4 | 0 | |u https://doaj.org/article/76b0240f98ac42cc9f60860b017ce475 |z kostenfrei |
856 | 4 | 0 | |u https://jppres.com/jppres/pdf/vol9/jppres21.1009_9.4.435.pdf |z kostenfrei |
856 | 4 | 2 | |u https://doaj.org/toc/0719-4250 |y Journal toc |z kostenfrei |
912 | |a GBV_USEFLAG_A | ||
912 | |a GBV_DOAJ | ||
951 | |a AR | ||
952 | |d 9 |j 2021 |e 4 |h 435-445 |