Diana Widiastuti

Judul	:	VIRTUAL SCREENING OF POTENTIAL HEPATOPROTECTIVE AGENTS FROM Andrographis panuculata AGAINST MACROPHAGE INFLAMMATORY PROTEIN-1β
Abstrak	:	This study aimed to evaluate the bioactive compounds of A. paniculata as an inhibitor against the macrophage inflammatory protein-1β (CCL-4) to avoid liver diseases. Multiple bioactive compounds from A. paniculata were screen through in silico approach. The score of binding affinity and the interaction trends among the ligands and protein were considered to determine potential hepatoprotective agents from those compounds. According to our prediction, there are four compounds of A. paniculata which may have potential as an inhibitor to the protein target, CCL-4 such as andrographidine A, bisandrographidine C, anrographidine C, and neoandrographolide. Furthermore, the ligands – residual amino acid interaction are andrographidine A – CCL4 (Van der Waals, Carbon Hydrogen Bond, Conventional Hydrogen Bond, Pi-Pi Stacked, and Pi-Alkyl); bisandrographidine C – CCL4 (Van der Waals, Conventional Hydrogen Bond, Alkyl/ Pi-Alkyl, and Unfavorable Acceptor-Acceptor); anrographidine C – CCL4 (Van der Waals, Conventional Hydrogen Bond, Carbon Hydrogen Bond, Pi-Pi Stacked, and Unfavorable Acceptor-Acceptor); neoandrographolide – CCL4 (Van der Waals, Conventional Hydrogen Bond, and Alkyl/ Pi-Alkyl). In the future, more experiments based on laboratory works is needed mainly to evaluate the specific mechanism of action of these compounds against the CCL4.
Tahun	:	2020	Media Publikasi	:	Jurnal Internasional
Kategori	:	Jurnal	No/Vol/Tahun	:	2020, 3, 133 - 137 / 3 / 2020
ISSN/ISBN	:	15112616
PTN/S	:	Universitas Pakuan	Program Studi	:	KIMIA
Bibliography	:	Nasir, A., Abubakar, M.G., Shehu, R.A., Aliyu, U., and Toge, B.K. (2013). Hepatoprotective effect of the aqueous leaf extract of Andrographis paniculata Nees against carbon tetrachloride – induced hepatotoxicity in rats. Nig. J. Basic Appl. Sci. 21(1), 45-54. 2. Maiti, K., Mukherjee, K., Murugan, V., Saha, B.P., and Mukherjee, P.K. (2010). Enhancing bioavailability and hepatoprotective activity of andrographolide from Andrographis paniculata, a well-known medicinal food, through its herbosome. J Sci Food Agric. 90, 43–51. 3. Subramaniam, S., Khan, H.B.H., Elumalai, N., and Lakshmi, SYS. Hepatoprotective effect of ethanolic extract of whole plant of Andrographis paniculata against CCl4-induced hepatotoxicity in rats. Comp Clin Pathol. 24(5), 1245-1251. 4. Koh, P.H., Mokhtar, R.A.M., and Iqbal, M. (2011). Andrographis paniculata ameliorates carbon tetrachloride (CCl4)-dependent hepatic damage and toxicity: Diminution of oxidative stress. Redox Rep. 16(3), 1-11. 5. Bardi, D.A., Halabi, M.F., Hassandarvish, P., Rouhollahi, E., Paydar, M., Moghadamtousi, S.Z., Al-Wajeeh, N.S., Ablat, A., Abdullah, N.A., and Abdulla, M.A. (2013). Andrographis paniculata leaf extract prevents thioacetamide-induced liver cirrhosis in rats. PloS One. 9(10), 1-13. 6. Asrani, S.K., Devarbhavi, H., Eaton, J., and Kamath, P.S. (2019). Burden of liver diseases in the world. J Hepatol. 70(1), 151-171.MJBMB, 2020, 3, 133 - 137 - 137 - 7. Nagalekshmi, R., Menon, A., Chandrasekharan, D.K., and Nair, C.K. (2011). Hepatoprotective activity of Andrographis paniculata and Swertia chirayita. Food Chem Toxicol. 49(12), 3367-3373. 8. Sutha, D., Jegathambigai, R., Kumar, P., and Sivaramakrishnan, S. (2010). A study on the hepatoprotective effect of Andrographis paniculata (Burm.F) Nees on mice. J Phytol. 2(11), 25-30. 9. Alasyam, N., Narapogu, V., John,P., Ubedulla,S., and Pokala, N. (2016). Evaluation of hepatoprotective activity of aqueous extract of Andrographis paniculata in wistar rats. Int J Pharmacol Clin Sci. 5(4), 113-117. 10. Puri, S.K., Habbu, P.V., Kulkarni, P.V., and Kulkarni, V.H. (2019). Characterization, in vitro antioxidant and hepatoprotective activity of fungal endophytic extracts of Andrographis paniculata leaves in CCL4 induced hepatotoxicity. Int J Pharmacol Clin Sci. 11(1), 1-11. 11. Trivedi, N.P., Rawal, U.M., and Patel, B.P. (2007). Hepatoprotective effect of Andrographolide against hexachlorocyclohexane-induced oxidative injury. Integr Cancer Ther. 6(3), 1-10. 12. Hossain, M.S., Urbi, Z., Sule, A., and Hafizur Rahman, K.M. (2014). Andrographis paniculata (Burm. f.) Wall. ex Nees: A review of ethnobotany, phytochemistry, and pharmacology. Sci World J. 2014(274905), 1-28. 13. Lipinski, C.A. (2004). Lead- and drug-like compounds: the rule-offive revolution. Drug Discov Today Technol. 1(4), 337-341. 14. Putra, W.E., Agustin, F., Rochmatika, L., and Salma, WO. (2019). Potential of Indonesian medicinal plants as anti-cancer: In silico study. Malaysian J Biochem Mol Biol. 22(1), 152-154. 15. Putra, W.E., Salma W.O., and Rifa'i, M. (2019). Anti-inflammatory activity of sambucus plant bioactive compounds against TNF-α and TRAIL as solution to overcome inflammation associated diseases: The insight from bioinformatics study. Nat Prod Sci. 25(3), 215-221. 16. Putra, W.E. (2018). In silico study demonstrates multiple bioactive compounds of sambucus plant promote death cell signaling pathway via Fas receptor. FUW Trends in Science & Technology Journal. 2(3), 682-685. 17. Lefebvre, E., Moyle, G., Reshef, R., Richman, L.P., Thompson, M., Hong, F., Chou, H.L., Hashiguchi, T., Plato, C., Poulin, D., Richards, T., Yoneyama, H., Jenkins, H., Wolfgang, G., and Friedman, S.L. (2016). Antifibrotic effects of the dual CCR2/CCR5 antagonist cenicriviroc in animal models of liver and kidney fibrosis. PLoS One. 11(6), 1-19. 18. Seki, E., De Minicis, S., Gwak, G.Y., Kluwe, J., Inokuchi, S., Bursill, C.A., Llovet, J.M., Brenner, D.A., and Schwabe, R.F. (2009). CCR1 and CCR5 promote hepatic fibrosis in mice. J Clin Invest. 119(7), 1858-1870. 19. Du, X.,Li, Y., Xia, Y., Ai, S., Liang, J., Sang, P., Ji, X., and Liu, S. (2016). Insights into protein–ligand interactions: mechanisms, models, and methods. Int J Mol Sci. 17(2), 1-34. 20. Kastritis, P.L., and Bonvin, A.M.J.J. (2013). On the binding affinity of macromolecular interactions: daring to ask why proteins interact. J R Soc Interface. 10(79), 1-34. 20120835
URL	:	http://mjbmb.org/