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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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:	Creators NIM Tri Widiandani UNSPECIFIED Siswandono UNSPECIFIED Suko Hardjono UNSPECIFIED Robby Sondakh UNSPECIFIED Intifada UNSPECIFIED Risma Zahra UNSPECIFIED
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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