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Hydrophobic character, logP is a physico-chemical property of
solute. Knowledge of this hydrophobic character plays an important
role to decide the solutes' ability to interface with biochemical
systems. It is the measure of the ease with which drug penetrate
membranes and bind to lipophilic surface. N-arylbenzohydroxamic
acids is drug like molecules it act as anticancer, antiviral,
antibacterial etc. and their hydrophobic nature play important role
in drug development.
N-Arylhydroxamic acids are drug like molecules. Biological activity
always depends upon physico-chemical property namely lipophilicity,
which has direct impact on the potency of the molecule. Partition
coefficient is a measure of how well a substance partitions between
a lipid and water.The partition coefficient has a strong influence
on ADME properties of molecules. Both of these parameters are
important factor in QSAR.
The aqueous solubility of drugs plays a key role in pharmaceutical,
environmental and biological processes. It is an important factor
in the ADMET (absorption, distribution, metabolism, elimination and
toxicity) research. Since the experimental determination of water
solubility is time-consuming therefore, reliable computational
predictions are used for the pre-selection of acceptable drug like
compounds. The Partial Least Squares (PLS) regression is a
statistical method that bears some relation to principal components
regression. PLS finds a linear regression model by projecting the
predicted variables and the observable variables to a new space. In
the present study, PLS regression is employed to model quantitative
structure-property relationship (QSPR) for the aqueous solubility
of 24 drug like molecules, N-arylhydroxamic acids by applying 15
physico-chemical properties as molecular descriptors. The
prediction results are acceptable.
Antioxidants are substances which are able to prevent the oxidative
damage by scavenging free radicals created in the body during
standard metabolic functions. Free radicals are responsible for
ageing process, cancer and atherosclerosis. Majority of lives on
earth require oxygen for their existence. Oxygen is a highly
reactive molecule that damages living organisms by generating
reactive oxygens species, ROS. Antioxidants either prevent these
ROS from being formed or remove them before they damage vital
components of the cell. On the other hand, ROS are responsible for
useful cellular function like redox signalling. Antioxidants help
to counterbalance ROS generated in the cell. N-Arylhydroxamic acids
are recognised as potent anti-breast cancer agents therefore,
antioxidant activity of PBHA, the parent compound of this series is
first time derived and presented.
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