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11. QSAR Studies on Piperidine-4-carboxamide CCR5 Antagonist
(TAK-220) and its Derivatives with Highly Potent Anti-HIV-1 Activity
SALONI MISHRA, SHEELA DWIVEDI and J.P.MISHRA*
Department of Chemistry, Feroze Gandhi College, Raebareli-229001,
U.P., India,
Email: (salonimishr12@gmail.com,
dwivedi.sheela@yahoo.co.in)
Spectrophotometric Investigation of Influence of Cation
Surface-Active Substances on Complex Formation of Titan(IV) with Bis-(2,3,4-Threehydroxyphenilazo)-Benzidin
R.A.Alieva, R.Z.Nazarova*, F.M.Chyragov, T.I.Alieva
The
Baku State University, chemical department Аz1148 Azerbaijan, Baku,
street Z.Khalilov, 23.
* Corresponding author:
Nazarova-roya@rambler.ru
Abstract:
The QSAR studies have been carried out on a set of 21
molecules of Piperidine-4-carboxamide CCR5 Antagonist
(TAK-220) which were reported as inhibitor of HIV-1. The
present study was undertaken with a hope to identify the
important physico chemical parameters that affect the
antiviral (anti HIV-1 activity) of the given series of drug
molecules. The best QSAR model thus obtained, have high
statistical significance (>99.9%) and moderate correlation
coefficient (r=0.842) led us to know that field effect
influencing positive of the right most benzyl moiety,
whereas on X it is negatively affecting the biological
activity. Resonance effect of X is showing positive
contribution to the biological activity.
Keywords:
QSAR, Piperidine-4-carboxamide CCR5 Antagonist (TAK-220) and
its Derivatives, Multiparameter Regression, Descriptors
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