In Silico Study of Compounds Contained in Hemigraphis alternata Leaves against 5-LOX for Anti-Inflammatory

Yeni Yeni; Rizky Rachmania; Mochamad D. Yanuar

doi:10.24198/ijpst.v8i1.29869

In Silico Study of Compounds Contained in Hemigraphis alternata Leaves against 5-LOX for Anti-Inflammatory

Yeni Yeni, Rizky Rachmania, Mochamad D. Yanuar

Abstrak

Inflammation is a self-protection response to begin the healing process. One of the anti-inflammatory targets worth developing is lipoxygenase inhibitors, which have been studied for several diseases, including severe airways disease. The aim of this study was to predict the affinity of 23 compounds that contained in Hemigraphis alternata leaves against 5-lipoxygenase (5-LOX). The compounds of Hemigraphis alternata leaves were screened for its affinity againts 5-LOX using docking software, DOCK 6.9, with zileuton as the comparator. Based on the grid score, most of the 23 of Hemigraphis alternata leaves compounds showed a higher affinity towards 5-LOX compare to zileuton. The highest affinity was shown by n-hexadecanoid acid. The study showed that Hemigraphis alternata leaves contains potential active components that could be developed as 5-LOX-inhibitor.

Keywords: In silico, Hemigraphis alternata, lipoxygenase, anti-inflammatory

Teks Lengkap:

PDF

Referensi

Knoops B, Argyropoulou V, Becker S, Ferté L, Kuznetsova O. Multiple roles of peroxiredoxins in inflammation. Molecules and Cells. 2016; 39(1); 60-4.

Loi F, Córdova LA, Pajarinen J, Lin TH, Yao Z, Goodman SB. Inflammation, fracture and bone repair. Bone. 2016; 86: 119-30.

Praja MH, Oktarlina RZ. Uji Efektivitas daun petai cina (Laucaena glauca) sebagai antiinflamasi dalam pengobatan luka bengkak. Jurnal Majority. 2017; 6(1): 60- 3.

Leonard BE. Inflammation and depression: a causal or coincidental link to the pathophysiology?. Acta Neuropsychiatrica. 2018; 30(1): 1-6.

Efron N. Contact lens wear is intrinsically inflammatory. Clinical and Experimental Optometry. 2017; 100(1): 3-19.

Ming WK. Bioassay-guided purification and identification of chemical constituents from Hemigraphis alternata (disertasi). Malaysia: Monash University: 2019.

Adangampurath S, Sudhakaran S. Antiinflammatory potential of flavonoids from Hemigraphis colorata. Int. J. of Life Sciences. 2018; 6(2): 569-74.

Arun KK, Nimmanapalli PR, Chaitanya RK, Roy K. Ethyl acetate extract of Hemigraphis colorata leaves shows anti-inflammatory and wound healing properties and inhibits 5-lipoxygenase and cyclooxygenase-1 and 2 enzymes. Journal of Medicinal Plants Research. 2013; 7(37) :2783-91.

Grosser T, Theken KN, FitzGerald GA. Cyclooxygenase inhibition: pain, inflammation, and the cardiovascular system. Clin. Pharmacol. Ther. 2017; 102(4): 611-22.

Abbas A, Lichtman A, Pillai S. Basic immunology e-book: functions and disorders of the immune system. China: Elsevier Health Sciences: 2019.

Anna H, Andrei M, Gudmar T, Solveig G, Helga J, Unnur T, et al. The gene encoding 5-lipoxygenase activating protein confers risk of myocardial infarction and stroke.Nat. Genet. 2004; 36(3): 233-9.

Viceconti M, Henney A, Morley-Fletcher E. In silico clinical trials: how computer simulation will transform the biomedical industry. Int. J. Clin. Trials. 2016; 3(2): 37-46.

Hodos RA, Kidd BA, Shameer K, Readhead BP, Dudley JT. In silico methods for drug repurposing and pharmacology. Wiley Interdiscip. Rev. Syst. Biol. Med.2016; 8(3): 186-210.

Pagadala NS, Syed K, Tuszynski J. Software for molecular docking: a review. Biophysical Reviews. 2017; 9(2): 91-102.

Yuriev E, Holien J, Ramsland PA. Improvements, trends, and new ideas in molecular docking: 2012-2013 in review. Journal of Molecular Recognition. 2015; 28(10): 581-604.

Atmajani W, Kurniawan AB, Hapsari R, Santoso B. Kajian in silico agonis PPAR gamma-receptor protein ( 5Y2O ) sebagai antihiperglikemia menggunakan dock6. The 9th University Research Colloqium (Urecol). 2019; 9(5): 193–200.

Manna A, Dian M, Hudiyanti D, Siahaan P. Molecular Docking of interaction between e-cadherin protein and conformational structure of cyclic peptide ADTC3 (Ac-CADTPC-NH2) Simulated on 20 ns. J. Kim. Sains dan Apl. 2017; 20(1): 30-6.

Hengphasatporn K, Garon A, Wolschann P, Langer T, Yasuteru S, Huynh TN, Chavasiri W, Saelee T,

Boonyasuppayakorn S, Rungrotmongkol T, et al. Multiple virtual screening strategies for the discovery of novel compounds active against dengue virus: A hit identification study. Sci. Pharm..

; 88(1): 1-19.

Murgueitio MS, Bermudez M, Mortier J, Wolber G. In silico virtual screening approaches for anti-viral drug discovery. Drug Discovery Today: Technologies. 2012; 9(3): 219-25.

Meng XY, Zhang HX, Mezei M. Cui M. Molecular Docking: A powerful approach for structure-based drug discovery. Curr. Comput. Aided-Drug Des. 2011; 7(2): 146-57.

Musoev A, Numonov S, You Z, Gao H. Discovery of novel DPP-IV inhibitors as potential candidates for the treatment of type 2 diabetes mellitus predicted by 3D QSAR pharmacophore models, molecular docking and de novo evolution. Molecules. 2019; 24(16): 2870-82.

DOI: https://doi.org/10.24198/ijpst.v8i1.29869