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ANANBIOANAL - 2010
Pharmaceutical R & D Summit
doi:10.4172/2155-9872.1000060
QSAR and Drug Designing for Anti-Tumor/Anti-Cancer Activity
Rama Pande
School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur, Chhattisgarh, India
Q
are phenyl or/and substituted phenyl groups are biomolecules as (i) They follow
the "Lipinski Rule of 5", (ii) Contain both HBD and HBA sites. These molecules
are neutral polyfuncitonal molecules and hydrogen-bonds helps in drug delivery
system by providing binding interaction with receptors. The hydrophobic, electronic
and steric parameters of 20 such molecules are derived following the experimental
techniques along with computation methods. The antiproliferative effect of these
molecules was studies in-vitro and and in-vivo. The biological parameters like
concentration, time intervals and survival period are also measured. Based on
these data the mechanism of death of cancerous cell is studied under the heads,
(i) ROS, (ii) Mitochondrial potential (iii) Lipid peroxidation and (iv)DNA Ladder. The
QSAR parameters determined are correlated with biological activity estimated,
following the MRA and PLS methods and the potency of molecules are computed,
by formulating and generating the equations for the molecules under study. All the
molecules investigated show anti-tumor activity when tested in-vitro. One molecule,
N-p-Chlorophenys-4-bromobenzohydroxamic acid with best IC50
SAR is the science which relates chemical structure of biological activity.
N-arylphydroxamic acids of general formula, R1
NOH.R2
C=0, where R1
and R2
value (53 micro
molar) is selected for in-vivo experiments. The results show that 100 mg of this
molecule kills 90% cancerous cells in 16 days, per kg. wt. of mice with the clean
death of cancerous cells.
ANALBIOANAL-2010
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