In silico and in vivo qualitative relationships of para-aminophenol analogues
Penulis/Author
Dr. Drs. Hari Purnomo, M.S., Apt. (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)
Tanggal/Date
2016
Kata Kunci/Keyword
Abstrak/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.
Rumpun Ilmu
Farmasi Umum dan Apoteker
Bahasa Asli/Original Language
English
Level
Internasional
Status
Dokumen Karya
No
Judul
Tipe Dokumen
Aksi
1
In silico and in vivo qualitative relationships of para-aminophenol analogues.pdf
Dokumen Pendukung Karya Ilmiah (Hibah, Publikasi, Penelitian, Pengabdian)
2
Scopus - International Journal of Pharmaceutical and Clinical Research _ Signed in.pdf
Dokumen Pendukung Karya Ilmiah (Hibah, Publikasi, Penelitian, Pengabdian)
3
In silico and in vivo qualitative relationships of para-aminophenol analogues.pdf
