| 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. To provide HP2009, we reacted
p-aminophenol and urea under acidic conditions by heating for 30 min followed
by refluxing for one hour on a heating mantle. In the other side, Synthesis of
MH2011 was carried out by reacting p-aminophenol, p-aminonaphtol and urea
under acidic conditions by heating for 30 minutes followed by refluxing for one
hour on a heating mantle. The solutions were cooled to room temperature and
stored in a fridge. The formed crystals were filtered and washed, and then dried
at room temperature. 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) can be used to predict the potential of a drug to other drugs in the
same action mechanism . |
