Detail In Silico screening of Potential Allicin compound From Allium Sativum As Antiplasmodium (Artikel dari Jurnal Kimia Terapan Indonesia ,Vol 17, No 2 Desember 2015) Bibliografi Author: Fatmawaty,Muhammad Hanafi,Rosmalena,Vivitri Dewi Topik: Allicin; Allicin derivatives; drug likeness; ADME; molecular docking Bahasa: (ID )     Tahun Terbit: 2015     Jenis: Article - diterbitkan di jurnal ilmiah nasional Fulltext: In Silico screening of Potential Allicin compound From Allium Sativum As Antiplasmodium.pdf (862.43KB; 2 download) Abstract Allicin compound (2-propene-1- sulphinothioat acid S-2-propenyl ester) is known to have potential as antiplasmodium in vitro. However, the inhibitory activity mechanism of Allicin to plasmodium is still unknown. In this research, we determined the inhibitory activity of Allicin in silico. Identification of physicochemical properties of Allicin compound and two Allicin derivatives, Alc1, Alc2 and Ac2Alc3 were also conducted.. Furthermore, analysis of drug-likeness and adsorption-distribution-metabolism-excretion (ADME) were carried out on the Allicin compound and its derivatives to find the potential of these compounds as drug candidates. In determining the specific interaction, we utilized molecular docking analysis between Allicin and its derivatives against a protein target Cysteine ​​Protease (SP). Molecular docking results showed that Allicin derivative, Alc2 (S-prop-2-en-1-yl 3-methylbut-2-ene-1-sulfinothioate, C10H18OS2) has better potential as inhibitors than Allicin, based on the lower bond energies and the inhibition constants, thus Alc2 can be used as an antiplasmodium agent candidate. Opini Anda Klik untuk menuliskan opini Anda tentang koleksi ini! Lihat Sejarah Pengadaan  Konversi Metadata   Kembali

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