Skrining Inhibitor Antihistamin Secara In Silico dari Senyawa Melati Belanda (Quisqualis indica L.)

Nashrul Wathan; Samsul Hadi; Rizki Swastika Puri

doi:10.37630/jpm.v13i3.1164

Nashrul Wathan Universitas Lambung Mangkurat
Samsul Hadi Universitas Lambung Mangkurat
Rizki Swastika Puri Universitas Lambung Mangkurat

DOI: https://doi.org/10.37630/jpm.v13i3.1164

Abstract

Gejala gatal-gatal, ruam kulit, hidung tersumbat, bersin-bersin, mata merah, dan anafilaksis merupakan tanda dari alergi. Penanganan penyakit alergi dilakukan dengan pemberian terapi glukokortikoid, antileukotrien dan antihistamin H1. Sehingga tujuan dari penelitian ini adalah skrening bahan alam dengan metode Insilico. Alur cara kerja dimulai dengan mencari senyawa dari melati belanda, kemudian dipreparasi di chem axon, tahap selanjutnya adalah docking PLANT dan yang terakhir Visualisasi dengan menggunakan Discovery studio. Hasil dari peneltian ini adalah skordocking dari masing masing ligand yaitu: asquisqualic acid (-67,0166); arachidonic acid (-114,165); linoleic acid(-109,504); rutin ( -29,15); Quisqualic acid (-69,3609); Trigonelline (-65,1792); quinoline-4-carbonitrile (-76,9548); gallic acid (-70,2333); ellagic acid (-67,0591); flavogallonic acid (-30,9294); brevifolin carboxylic acid (-74,2838); quercetin(-82.544); β-sitosterol (-67,9037); lupeol (-30,033); linalool (-75,1704). Kesimpulannya yang memiliki energi terendah yang berpotensi sebagai inhibitor antihistamin adalah asam arachidonat.

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Keywords: Docking, Plants, Antihistamin

References

Bekele, B., & Lemma, B. (2021). Bioactive compounds from ten species of the genus Combretum : Review. 5(1), 18–30.

Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig, H., Shindyalov, I. N., & Bourne, P. E. (2000). The Protein Data Bank. Nucleic Acids Research, 28(1), 235–242. https://doi.org/10.1093/nar/28.1.235

Biovia, D. S. (2020). Free Download: BIOVIA Discovery Studio Visualizer - Dassault Systèmes. https://discover.3ds.com/discovery-studio-visualizer-download#_ga=2.4935860.685747970.1587999055-a5d1c1c0-3176-11e9-a86f-e302515d21c8

Chandel, R. S. A.-R. S. A.-D. C. A.-H. N. A.-H. S. (2018). Anti-allergic activity of ethanol extractives of Quisqualis Indica Linn. by In-vitro compound 48/80 induced mast cell degranulation and In-vivo Passive cutaneous anaphylaxis (PCA) model. Toxicology Reports, 2018. https://doi.org/10.1016/j.toxrep.2018.03.015

Chaudhary, D., Srivastava, R., & Nagar, H. (2021). Anti-allergic Assessment of Ethanol Extractives of Quisqualis Indica Linn. In Current Bioactive Compounds (Vol. 17, Issue 7, pp. 8–17). https://doi.org/http://dx.doi.org/10.2174/1573407216999201124222935

ChemAxon. (2016). ChemAxon - Software Solutions and Services for Chemistry and Biology. MarvinSketch, Version 16.10.31. https://chemaxon.com/

Cobanoglu, B., Toskala, E., Ural, A., & Cingi, C. (2013). Role of Leukotriene Antagonists and Antihistamines in the Treatment of Allergic Rhinitis. Current Allergy and Asthma Reports, 13. https://doi.org/10.1007/s11882-013-0341-4

Feldmeyer, L., Heidemeyer, K., & Yawalkar, N. (2016). Acute Generalized Exanthematous Pustulosis: Pathogenesis, Genetic Background, Clinical Variants and Therapy. International Journal of Molecular Sciences, 17(8), 1214. https://doi.org/10.3390/ijms17081214

Hafshah. (2021). Terapi Komplementer Rinitis Alergi. Jurnal Medika Hutama, 02(02), 456–468. file:///C:/Users/User/Downloads/141-Article Text-419-1-10-20210106 (1).pdf

Jyoti S Dubey B, P. P. K. (2012). Quisqualis indica Linn: A Review of its Medicinal Properties. International Journal of Pharmaceutical & Phytopharmacological Research, 1(5), 313–321. file:///C:/Users/User/Downloads/QuisqualisindicaLinnAReviewofitsMedicinalProperties.pdf

Kobayashi, C., Tanaka, A., Yasuda, T., & Hishinuma, S. (2020). Roles of Lys191 and Lys179 in regulating thermodynamic binding forces of ligands to determine their binding affinity for human histamine H(1) receptors. Biochemical Pharmacology, 180, 114185. https://doi.org/10.1016/j.bcp.2020.114185

Korb, O., Stützle, T., & Exner, T. E. (2006). PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design BT - Ant Colony Optimization and Swarm Intelligence (M. Dorigo, L. M. Gambardella, M. Birattari, A. Martinoli, R. Poli, & T. Stützle (Eds.); pp. 247–258). Springer Berlin Heidelberg.

Krieger, E., & Vriend, G. (2014). YASARA View—molecular graphics for all devices—from smartphones to workstations. Bioinformatics, 30(20), 2981–2982. https://doi.org/10.1093/bioinformatics/btu426

Lagunin, A., Stepanchikova, A., Filimonov, D., & Poroikov, V. (2000). PASS: prediction of activity spectra for biologically active substances. Bioinformatics (Oxford, England), 16(8), 747–748. https://doi.org/10.1093/bioinformatics/16.8.747

Nakamura, K., Shimura, N., Otabe, Y., Hirai-Morita, A., Nakamura, Y., Ono, N., Ul-Amin, M. A., & Kanaya, S. (2013). KNApSAcK-3D: a three-dimensional structure database of plant metabolites. Plant & Cell Physiology, 54(2), e4. https://doi.org/10.1093/pcp/pcs186

Novianto, F., Zulkarnain, Z., Triyono, A., Ardiyanto, D., Fitriani, U., Astana, P. R. W., Nisa, U., & Rahardjo, S. S. (2021). The Eff ect of Anti-Allergic Herbal Formulation on Quality of Life of Allergic Rhinitis Patients at Tawangmangu Hortus Medicus Clinic. Jurnal Ilmu Kefarmasian Indonesia, 19(1), 25–29.

Pooja, A. S. (2016). a Brief Review on Pharmacological Studies of Combretum Indicum in Development of Pharmaceutical Formulation for Challenging Diseases. World Journal of Pharmacy and Pharmaceutical Sciences, 5(6), 500–507. https://doi.org/10.20959/wjpps20166-6861

Rodríguez, E., Arqués, J. L., Rodríguez, R., Nuñez, M., Medina, M., Talarico, T. L., Casas, I. A., Chung, T. C., Dobrogosz, W. J., Axelsson, L., Lindgren, S. E., Dobrogosz, W. J., Kerkeni, L., Ruano, P., Delgado, L. L., Picco, S., Villegas, L., Tonelli, F., Merlo, M., … Masuelli, M. (1989). Protein-Protein and Protein-Ligand Docking. Intech, 32(tourism), 137–144. https://www.intechopen.com/books/advanced-biometric-technologies/liveness-detection-in-biometrics

Saputri, K. E., Fakhmi, N., Kusumaningtyas, E., Priyatama, D., & Santoso, B. (2016). Docking Molekular Potensi Anti Diabetes Melitus Tipe 2 Turunan Zerumbon Sebagai Inhibitor Aldosa Reduktase Dengan Autodock-Vina. Chimica et Natura Acta, 4(1), 16. https://doi.org/10.24198/cna.v4.n1.10443

Shimamura, T., Shiroishi, M., Weyand, S., Tsujimoto, H., Winter, G., Katritch, V., Abagyan, R., Cherezov, V., Liu, W., Han, G. W., Kobayashi, T., Stevens, R. C., & Iwata, S. (2011). Structure of the human histamine H1 receptor complex with doxepin. Nature, 475(7354), 65–70. https://doi.org/10.1038/nature10236

Shofi, M. (2021). Studi In Silico Senyawa Kuarsetin Daun Kencana Ungu (Ruellia Tuberosa L.) Sebagai Agen Antikanker Payudara In Silico Study Quarcetine Compounds from Kencana Ungu Leaves (Ruellia tuberosa L.) Agent as An Anti-Cancer Breast. J. Sintesis Submitted: 5 Maret, 2021(1), 1–9.

Simbolon, B. P., Loebis, S., & Lily, I. (2006). Penggunaan Kortikosteroid Intranasal Dalam Tata Laksana Rinitis Alergi pada Anak. Sari Pediatri, 8(1), 54–59.

Wijaya, H., Novitasari, & Jubaidah. (2018). Perbandingan Metode Ekstraksi Terhadap Rendemen Ekstrak Daun Rambai Laut (Sonneratia caseolaris L. Engl). Jurnal Ilmiah Manuntung, 4(1). https://doi.org/https://doi.org/10.51352/jim.v4i1.148