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Jurnal Farmasi dan Ilmu Kefarmasian

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Vol. 1 / No. 2 / Published : 2014-12

TOC : 3, and page :42 - 47

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Original Article :

Studi in silico gendarusin a, b, c, d, dan e untuk prediksi absorbsi dan aktivitas terhadap hialuronidase (ec 3.2.1.35)

Author :

  1. Ahmad Saifuddin*1
  2. Siswandono*2
  3. Bambang Prajogo E.W.*3
  1. Mahasiswa Fakultas Farmasi
  2. Dosen Fakultas Farmasi
  3. Dosen Fakultas Farmasi

Abstract :

Justicia gendarussa Burm. f contains 12 flavonoid C-glycosides; which are able to inhibit hyaluronidase enzyme of spermatozoa in the fertilization process. Five of them have been structurally identified as gendarusin A, B, C, D, and E. Those five compounds have different structures of space configuration of glycoside in atom C-6 and C-8 of apigenin core and Hydroxyl group on glycoside. This study aims to investigate the prediction of absorption and activity of gendarusin A, B, C, D, and E on hyaluronidase enzyme through in silico study. The absorption prediction was investigated using the Lipinski’s rule of five and ACD/I-Lab online program, while the prediction of activity was investigated using docking simulation with Molegro Virtual Docker (MVD) program. Results showed that these five gendarusin compounds did not meet the Lipinski’s rule of five while only 2% were absorbed using ACD/I-Lab, and therefore it said to be “poor passive absorption due to hydrophylicity.” The results of docking simulation using MVD showed bonding interaction between hyaluronidase receptor (1FCV) and gendarusin A, B, C, D, and E as well as free energy of binding (rerank score). Gendarusin D had the highest activity compared to gendarusin A, B, C and E due to its lowest rerank score. The activity of gendarusin D has also been shown by the hidrogen bond in the active site amino acids residue of hyaluronidase (Asp 111 and Glu 113) 

Keyword :

Gendarusin, Hyaluronidase, in silico, Molegro Virtual Docker ,


References :

  1. Markham KR, (1988). Cara Mengidentifikasi Flavonoid. Bandung : ITB
  2. Prajogo B, (2014). Autentik tanaman Justicia gendarussa Burm.f. sebagai bahan baku obat kontrasepsi pria. Surabaya : Airlangga University Press
  3. Siswandono, (2011). Studi pemodelan molekul interaksi beberapa turunan penisilin dengan reseptor DD-Transpeptidase dari streptomyces R61 (1PWC). Surabaya : Majalah Farmasi Airlangga
  4. Allinger NL, (2010). Molecular Structure Understanding Steric and Electronic Effects from Molecular Mechanics. Hoboken : John Wilwy & Sons, Inc
  5. Yanuar A, Mun’im A, Lagho ABA, Syahdi RR, Rahmat M, Suhartanto H, (2011). Medicinal Plants Database and Three Dimensional Structure of the Chemical Compounds from Medicinal Plants in Indonesia. - : Medicinal Plants Database and Three Dimensional Structure of the Chemical Compounds from Medicinal Plants in Indonesia


   


Archive Article

Cover Media Content

Volume : 1 / No. : 2 / Pub. : 2014-12
  1. Evaluasi mutu pelayanan di apotek komunitas kota kendari berdasarkan standar pelayanan kefarmasian
  2. Permasalahan terkait obat antihipertensi pada pasien usia lanjut di poli geriatri rsud dr.soetomo, surabaya
  3. Studi in silico gendarusin a, b, c, d, dan e untuk prediksi absorbsi dan aktivitas terhadap hialuronidase (ec 3.2.1.35)
  4. Pengaruh sistem miroemulsi tipe w/o terhadap karakteristik sediaan dan pelepasan natrium diklofenak (perbandingan konsentrasi surfaktan (span 80-tween 80): kosurfaktan (etanol 96%) = 6:1 dalam basis gel hpmc 4000)
  5. Efek apoptosis ekstrak etanol ganggang hijau (spirogyra sp.) terhadap ekspresi caspase-3 dan bcl-2 pada sel t47d
  6. Perbandingan aktivitas antioksidan ekstrak aseton tomat segar dan pasta tomat terhadap 1,1-diphenyl-2-picrylhidrazyl (dpph)
  7. Uji aktivitas ekstrak biji sirsak (annona muricata l.) terhadap sel kanker mamalia secara in vitro