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| Title | : | In silico and in vivo qualitative relationships of para-aminophenol analogues |
| 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) |
| 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
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| No | Title | 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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View |
| 2 |
Scopus - International Journal of Pharmaceutical and Clinical Research _ Signed in.pdf
Document Type : Dokumen Pendukung Karya Ilmiah (Hibah, Publikasi, Penelitian, Pengabdian)
|
View |
| 3 |
In silico and in vivo qualitative relationships of para-aminophenol analogues.pdf
Document Type : [PAK] Cek Similarity
|
View |
| 4 |
jurnal_1028109_007abee6f3f850ed255a9ff582d1f082.pdf
Document Type : [PAK] Full Dokumen
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View |