ACADSTAFF UGM

CREATION
Title : In silico and in vivo qualitative relationships of para-aminophenol analogues
Author :

Dr. apt. Hari Purnomo, M. S. (1) Prof. Dr. Umar Anggara Jenie, M.Sc., Apt. (2) Prof. Dr. apt. Agung Endro Nugroho, S.Si., M.Si. (3) Prof. Dr.rer.nat. Harno Dwi Pranowo, M.Si. (4)
Date : 0 2016
Keyword : In silico testing; In vivo; Para-aminophenol analogues In silico testing; In vivo; Para-aminophenol analogues
Abstract : HP2009 or 1,3 bis(p-hydroxyphenyl)urea and MH2011 or 1- (4-hydroxynaphtalene-1 -yl)-3-(p-hydroxyphenyl)urea are para-aminophenol analogues modified based on the paracetamol structure. In our previous study with acetic acid-induced writhing reflex model, these compounds exhibited analgesic effects with ED50 values of 58 and 10 mg/kgBW, respectively. The potencies were more potent than this of paracetamol (91 mg/kgBW). In the silico study, the docking scores against 6COX.PDB were -67.4556; -85.1618; and -95.396, respectively. In the study, we investigated in silico and in vivo qualitative relationships of these compounds. In the study, there was a qualitative relationship between in silico with in vivo studies. The more stable bonds were due to the increasing number of drug receptor amino acid that plays a role in the bonding. Paracetamol was fastened by 8 amino acids, whereas HP2009 and MH2011 were bound by 10 and 12 amino acids, respectively. In silico study (molecular docking PLANTS) can be used to predict the potential of a drug to other drugs in the same action mechanism.
Group of Knowledge : Farmasi Umum dan Apoteker
Original Language : English
Level : Internasional
Status :
Published
Document
No Title Document Type Action
1 In silico and in vivo qualitative relationships of para-aminophenol analogues.pdf
Document Type : Dokumen Pendukung Karya Ilmiah (Hibah, Publikasi, Penelitian, Pengabdian)
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2 Scopus - International Journal of Pharmaceutical and Clinical Research _ Signed in.pdf
Document Type : Dokumen Pendukung Karya Ilmiah (Hibah, Publikasi, Penelitian, Pengabdian)
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3 In silico and in vivo qualitative relationships of para-aminophenol analogues.pdf
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4 jurnal_1028109_007abee6f3f850ed255a9ff582d1f082.pdf
Document Type : [PAK] Full Dokumen
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