UNIVERSITAS AIRLANGGA



Detail Article

Berkala Ilmiah Kimia Farmasi

ISSN 2302-8270

Vol. 2 / No. 1 / Published : 2013-06

Order : 7, and page :40 - 45

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Original Article :

Docking dan modifikasi struktur senyawa baru turunan parasetamol

Author :

  1. Tri Widiandani*1
  2. Siswandono*2
  3. Suko Hardjono*3
  4. Robby Sondakh*4
  5. Istifada*5
  6. Risma Zahra*6
  1. Dosen Fakultas Farmasi
  2. Dosen Fakultas Farmasi
  3. Dosen Fakultas Farmasi
  4. Dosen Fakultas Farmasi
  5. Mahasiswa Fakultas Farmasi
  6. Mahasiswa Fakultas Farmasi

Abstract :

A modification of paracetamol structure had been conducted which produced two compounds of paracetamol derivatives, that are 4’-acetamidophenyl-2-chlorobenzoat and 4’-acetamidophenyl-3-chlorobenzoat. Before the synthesis, an in silico analgesic activity prediction was conducted by comparing Docking Score of paracetamol with two compounds derivative of the COX-2 (3LNI) receptor. The result of in silico test produced paracetamol Docking Score of -68,2779, compound 1 Docking Score of -107,945 and compound 2 Docking Score of -101,938.  The Docking Score of the two compounds are smaller than paracetamol. It shows that the drug-receptor interaction of the compounds is more stabil than paracetamol. Synthesis was conducted through Schotten-Boumann reaction by reacting paracetamol and two reactors of 2-chlorobenzoyl chloride and 3-chlorobenzoyl chloride using tetrahydrofuran as a solvent and triethylamyne as a base and HCl captor. This synthesis produced a compound in the shape of white needle crystal solid matter with a distinct smell. The first compound weighs 71,65% and the second compound weighs of 72,19%. Organoleptical, Dissolving Distance, Thin Layer Chomatography (TLC), Spectrophotometer UV-Vis, Spectrophotometer IR and Spectrometer 1H-NMR checks were then carried out on this synthesis compounds. From the result of structure confirmation it can be concluded that the synthesis compounds are 4’-acetamidophenyl-2-chlorobenzoat and 4’-acetamidophenyl-3-chlorobenzoat.  

Keyword :

docking, synthesis, paracetamol, 4’-acetamidophenyl-2-chlorobenzoat, 4’-acetamidophenyl-3-chlorobenzoat,


References :

Siswandono,(2011) Studi Pemodelan Molekul Interaksi Beberapa Turunan Penisilin dengan Reseptor DD-Transpeptidase dari Streptomyces R61 (1PWC). Journal : Majalah Farmasi Airlangga. Vol 9 No.2

Burke, A., Smyte E., Fitz Gerald G. A., ,(2006) Analgesic-antipyretic agents; pharmacotherapy of gaout. In: Brunton, L.L (eds). Goodman and Gilman’s The Pharmacological Basic of Therapeutics. New York : McGraw-Hill





Archive Article

Cover Media Content

Volume : 2 / No. : 1 / Pub. : 2013-06
  1. Validasi Spektrofotometri Visible Untuk Penentuan Kadar Formalin Dalam Daging Ayam
  2. Validasi Metode Kromatografi Gas-spektrometri Massa Untuk Penetapan Kadar Residu Endosulfan Dalam Kubis
  3. Sintesis Dan Uji Aktivitas Antikanker Senyawa 1-(2-klorobenzoiloksi)urea Dan 1-(4-klorobenzoiloksi)urea
  4. Pengaruh Gugus Metoksi Posisi Orto (o) Dan Para (p) Pada Benzaldehida Terhadap Sintesis Turunan Khalkon Dengan Metode Kondensasi Aldol
  5. Modifikasi Struktur N-fenilurea Menjadi Senyawa Baru N-benzoilfenilurea Dan 4-fluorobenzoilfenilurea Serta Uji Aktivitasnya Sebagai Penekan Susunan Saraf Pusat
  6. Aktivitas Antinociceptiv Dan Uji In Silico Terhadap Cyclooxygenase Dari Asam P-metoksisinamat Dan Asam M-metoksisinamat
  7. Docking Dan Modifikasi Struktur Senyawa Baru Turunan Parasetamol

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