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Jurnal Farmasi dan Ilmu Kefarmasian

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Vol. 2 / No. 1 / Published : 2015-10

TOC : 3, and page :10 - 15

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Original Article :

Studi in silico gendarusin a, b, c, d dan e untuk prediksi aktivitas terhadap enzim cyp17a1 sebagai afrodisiaka

Author :

  1. Taufan Nugroho*1
  2. Siswandono*2
  3. Bambang Prajogo E.W*3
  1. Departemen Farmakognosi dan Fitokimia Fakultas Farmasi Universitas Airlangga
  2. Dosen Fakultas Farmasi
  3. Dosen Fakultas Farmasi

Abstract :

12 flavonoid compounds are found in n-butanol fraction of Justicia gendarusa Burm.f. However, only five of them have been structurally identified namely gendarusin A, B, C, D and E. These compounds are found in male contraception made from Justicia gendarusa Burm.f. whose one of the side effects is the increase in libido. This study aims to investigate the aphrodisiac activity of Gendarusin A, B, C, D and E as well as to investigate the quantitative relationship of structure-activity. The method used in this study was in silico using Molegro Virtual Docker and SPSS programs. The results of Molegro program showed the interaction between ligand and receptor as well as the rerank score which was the calculation of the total bonds. Docking was conducted to these five gendarusin compounds on the CYP17A1 enzyme (PDB ID: 3RUK). In the quantitative relationship of Structure-Activity, only the electronic parameters would be processed using SPSS program since the value of lipophilic and derivative steric parameters of gendarusin were equal. The electronic parameters to be analyzed were hydrophobic bond, van der waals bond and hydrogen bond. Upon the docking, Gendarusin A, B and C were predicted to have aphrodisiac activity. Gendarusin C had the highest activity. There was a linear correlation between in silico activity and electronic parameters stated in the following equation: Log A = -0.003vdw + 1.940 (n=5; r = 0.998; s = 0.0088; F = 880.308; Sig. = 0.000) The equation expresses that the electronic parameters have a meaningful linear correlation with the activity of gendarusin as aphrodisiac

Keyword :

in silico, docking, gendarusin, aphrodisiac activity, QSAR,


References :

  1. Siswandono, (2011). Studi Permodelan Molekul Interaksi Beberapa Turunan Penisilin dengan Reseptor DD-Transpeptidase dari Streptomyces R61 (1PWC). vol 9 No 2, 33-41 : Majalah Farmasi Airlangga
  2. DeVore NM and Scott EE, (2012). Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001. VOL 482 : NATURE
  3. Gauthaman K, Adaikan P, Prasad R, (2002). Aphrodisiac properties of Tribulus terrestris extract (Protodioscin) in normal and castrated rats. 71, 1385–1396 : Life Sciences
  4. Pandey AV and Miller WL, (2005). Regulation of 17,20 Lyase Activity by Cytochrome b5 and by Serine Phosphorylation of P450c17. Vol. 280 No. 14 : J. Biol. Chem
  5. Semwal A, Kumar R, Singh R, (2013). Nature’s Aphrodisiacs - A Review of Current Scientific Literature. 1-20 : International Journal of Recent Advances in Pharmaceutical Research


   


Archive Article

Cover Media Content

Volume : 2 / No. : 1 / Pub. : 2015-06
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  2. Development potentiometric sensor-coated wire cyanide ion selective electrode based aliquat336 membranes for determination cyanide in gadung (dioscorea hispida dennus)
  3. Studi in silico gendarusin a, b, c, d dan e untuk prediksi aktivitas terhadap enzim cyp17a1 sebagai afrodisiaka
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