Docking dan modifikasi struktur senyawa baru turunan parasetamol

Tri Widiandani and Siswandono and Suko Hardjono and Robby Sondakh and Intifada and Risma Zahra (2013) Docking dan modifikasi struktur senyawa baru turunan parasetamol. Berkala Ilmiah Kimia Farmasi, 2 (1). pp. 41-45. ISSN 2302-8270

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Official URL: http://journal.unair.ac.id/docking-dan-modifikasi-...

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.

Item Type: Article
Uncontrolled Keywords: docking, synthesis, paracetamol, 4’-acetamidophenyl-2-chlorobenzoat, 4’-acetamidophenyl-3-chlorobenzoat,
Subjects: R Medicine > RS Pharmacy and materia medica > RS1-441 Pharmacy and materia medica
Divisions: 05. Fakultas Farmasi
Peer Review
Creators:
CreatorsNIM/NIDN
Tri WidiandaniUNSPECIFIED
SiswandonoUNSPECIFIED
Suko HardjonoUNSPECIFIED
Robby SondakhUNSPECIFIED
IntifadaUNSPECIFIED
Risma ZahraUNSPECIFIED
Depositing User: Ika Rudianto
Date Deposited: 22 Jan 2017 17:48
Last Modified: 15 Jun 2017 20:19
URI: http://repository.unair.ac.id/id/eprint/51550
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