Simulasi Docking Molekuler Senyawa Potensial Tanaman Justicia Gendarussa Burm.f. Sebagai Antidiabetes
Abstract
Abstract
Indonesia has various natural compounds that are potential as antidiabetics but the mechanism of action was not yet known in detail, one of them is Justicia gendarussa. Justicia gendarussa is known as Gandarusa contains kaempferol and naringenin. In this study, the two compounds were simulated with glucokinase enzyme using a glibenclamide as a standard reference drug to determine their potential action as an antidiabetic. The research method was carried out using molecular docking computation simulation (in silico). The results showed the binding energy scores of glibenclamide, naringenin, and kaempferol to glucokinase enzymes are -22.0917; -22,1866; and -22,6328 kcal/mol, respectively. The hydrogen bonding plays in binding the enzyme. These results showed the binding energy score was not different significantly. Thus, naringenin and kaempferol had the same antidiabetic potential as glibenclamide.
Keywords: Justicia gendarussa, antidiabetes, molecular docking, naringenin, kaempferol
Abstrak
Berbagai senyawa alam Indonesia berpotensi sebagai antidiabetes namun belum diketahui mekanisme aksinya secara rinci, salah satu contohnya Justicia gendarussa Burm.f.. Tanaman Justicia gendarussa yang dikenal baik dengan nama Gandarusa, mengandung kaempferol dan naringenin. Pada penelitian ini, kedua senyawa disimulasikan terhadap enzim glukokinase menggunakan senyawa pembanding glibenklamid yang merupakan obat referensi untuk mengetahui potensinya sebagai antidiabetes. Metode penelitian dilakukan menggunakan simulasi komputasi docking molekuler (in silico). Hasil docking molekuler menunjukkan skor energi ikatan glibenklamid, naringenin dan kaempferol terhadap enzim glukokinase masing-masing sebesar -22,0917; -22,1866 ; dan -22,6328 kkal/mol. Ikatan yang berperan adalah ikatan hydrogen. Hasil penelitian menunjukkan nilai skor energi ikatan yang tidak berbeda signifikan. Dengan demikian naringenin dan kaempferol memiliki potensi sebagai antidiabetes yang sama dengan glibenklamid.
Kata kunci: Justicia gendarussa, antidiabetes, docking molekuler, naringenin, kaempfero
References
International Diabetes Federation. About Diabetes. Diabetes Facts & Figures [Internet]. [12 Februari 2020] diunduh 18 April 2020.
Association AD. Diabetes Care: Standards of Medical Care in Diabetes-2019. The Journal of Clinical and Applied Research and Education. 2019.;42.
Jadna SFM,Jhonatan Gomes Castro A,Menegaz D,De Bernardis M,Pires Mendes C,Mascarello A,dkk. Mechanism of action of novel glibenclamide derivatives on potassium and calcium channels for insulin secretion. Current drug targets. Current Drug Target. 2017;18(6):10.
Kavitha K,Sujatha K dan Manoharan S. Antidiabetic Potential of Acanthaceae Family. Int J Pharm Sci Rev Res. 2016;36(1):8.
Islam MR,Sayeed MA,Billah MM,Rana MN,Hossain MA,Anwar ZB,dkk. Effects of Methanolic Leaf Extract of Justicia gendarussa on Alloxan Induced Diabetic Mice and Brine Shrimp NAUPLII. World Journal of Pharmaceutical Research. 2015;4(6):19811990.
Suresh BN,Satish PV dan Oswal. RJ. Effects of Justicia gendarussa Leaves in StreptozotocinInduced Diabetic Rats. International Journal of Pharmaceutical Sciences and Research. 2020;11(7):3300-3305.
Ayob Z,Jamil S,Bohari M,Pauliena S,Ahmad F,Samad A,dkk. Detection of Naringenin and Kaempferol in Justicia gendarussa Leaf Extracts by GC-FID. Sains Malaysiana. 2017;46(3):457-461.
Shine V,Anuja G,Pradeep S dan Suja S. Molecular Interaction of Naringin and its Metabolite Naringenin to Human Liver Fibrosis Proteins: an In Silico Approach. Pharmacognosy Magazine. 2018;14(55):102109.
Manchope M,Casagrande R dan Verri Jr W. Naringenin: an Analgesic and AntiInflammatory Citrus Flavanone. Oncotarget. 2017;8(3):3766.
Orhan I,Nabavi S,Daglia M,Tenore GC,Mansouri K dan SM. N. Naringenin and Atherosclerosis: a Review of Literature. Current pharmaceutical biotechnology. 2015;16(3):245-251.
Wang K,Chen Z,Huang J,Huang L,Luo N,Liang X,dkk. Naringenin Prevents Ischaemic Stroke Damage via Anti-Apoptotic and Anti-Oxidant Effects. Clinical and Experimental Pharmacology and Physiology. 2017;44(8):862-871.
Haeusler RA,Camastra S,Astiarraga B,Nannipieri M,Anselmino M dan Ferrannini E. Decreased expression of hepatic glucokinase in type 2 diabetes. Mol Metab. 2015;4(3):222226. Epub 2015/03/05.
Toulis K,Nirantharakumar K,C P,AH B dan AA. T. Glucokinase Activators for Type 2 Diabetes: Challenges and Future Developments. Drugs. 2020;80:467-475.
Hesturini R,Herowati R dan GP. W. Uji Aktivitas Analgetika Fraksi-Fraksi Ekstrak Etanol Daun Gandarusa (Justicia gendarussaBurm. f) dengan Metode Tail Flick. Jurnal enore Farmasi Indonesia. 2018;15(1):13-17.
Hesturini R. Aktivitas Analgetik dan AntiInflamasi Fraksi-Fraksi Ekstrak Etanol Daun Gandarusa (Justicia Gendarussa Burm. F) secara In Vivo dan Uji Keamanan terhadap Lambung [Disertasi doktoral]. Surakarta: Universitas Setia Budi; 2016.
Widodo A,Khumaidi A dan Lasongke P. Toksisitas Ekstrak Etanol dan Ekstrak Air dari Daun Jotang Kuda (Synedrella nodiflora (L.) Gaertn.), Daun Gandarusa (Justicia Gendarussa Burm. F.), dan Daun Pulutan (Urena lobata L.) dengan Brine Shrimp Lethality Test. . Jurnal Farmasi Galenika. 2019;5(2):198-205.
Chandra Y. Perancangan Aplikasi Resep Pengobatan Gangguan Pernapasan dengan Tanaman Obat Menggunakan Pendekatan Agile Process dengan Model Extreme Programming berbasis Android. . Jurnal Informatika Wicida. 2017;1(1):33-41.
Lee G,Choi K dan Hwang K. Kaempferol, a phytoestrogen, suppressed triclosan-induced epithelial-mesenchymal transition and metastatic-related behaviors of MCF-7 breast cancer cells. Environmental Toxicology and Pharmacology. 2017;49:48-57.
Duan L,Ding W,Liu X,Cheng X,Cai J,Hua E,dkk. Biosynthesis and Engineering of Kaempferol in Saccharomyces cerevisiae. Microbial cell factories. 2017;16(1):165.
Adelina R, Kurniatri A. Mekanisme Katekin sebagai Obat Antidislipidemia (Uji In Silico). Buletin Penelitian Kesehatan. 2018;46(3):147154.
Tsumura Y,Tsushima Y,Tamura A,Hasebe M,Kanou M,Kato H,dkk. TMG-123, a Novel Glucokinase Activator, Exerts Durable Effects on Hyperglycemia without Increasing Triglyceride in Diabetic Animal Models. Plos One. 2017;12(2).
Richter J,Goroncy A,Ronimus R dan Sutherland-Smith A. The Structural and Functional Characterization of Mammalian ADP-Dependent Glucokinase. Journal of Biological Chemistry. 2016;291(8):3694-3704. Epub 2015/11/12.
Amin NB,Aggarwal N,Pall D,Paragh G,Denney WS,Le V,dkk. Two Dose-Ranging Studies with PF-04937319, a Systemic Partial Activator of Glucokinase, as add-on Therapy to Metformin in Adults with Type 2 Diabetes. Diabetes, Obesity, and Metabolism. 2015.;17(8):751759.
Copyright (c) 2020 Buletin Penelitian Kesehatan
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Publishing your paper with Buletin Penelitian Kesehatan means that the author or authors transfer the copyright to Buletin Penelitian Kesehatan. Buletin Penelitian Kesehatan granted an exclusive reuse license by the author(s), but the author(s) are able to put the paper onto a website, distribute it to colleagues, give it to students, use it in your thesis etc, even commercially.
Buletin Penelitian Kesehatan journal provides immediate open access to its content on the principle that making research freely available to the public supports a greater global exchange of knowledge. This journal is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License. This license lets others remix, transform, and build upon the material for any purpose, even commercially.
Buletin Penelitian Kesehatan journal Open Access articles are distributed under this Creative Commons Attribution-ShareAlike 4.0 International License (CC BY-SA). Articles can be read and shared for All purposes under the following conditions:
- BY: You must give appropriate credit, provide a link to the license, and indicate if changes were made. You may do so in any reasonable manner, but not in any way that suggests the licensor endorses you or your use.
- SA: If you remix, transform, or build upon the material, you must distribute your contributions under the same license as the original.
