VIRTUAL TOXICITY STUDIES OF NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES
Journal Title: International Research Journal of Pharmacy (IRJP) - Year 2013, Vol 4, Issue 3
Abstract
Virtual toxicity of N3, N5-diphenyl-1,4-dihydropyridine-3,5-dicarbohydrazides [2A-2D’] and 2,6-dimethyl-1,4-dihydropyridine-3,5-yl-bis[carbonyl-2-(phenyl)]pyrazolidine-3,5-diones] [3A-3D’] were extensively studied. Computational toxicology and mutagenicity profiles of these compounds were generated by using TOPKAT 6.1 (Toxicity Prediction Komputer Assisted Technology version 6.1). The molecular structure of the query compound was given as a SMILES string and a desired TOPKAT predictor was selected. TOPKAT automatically conducts a unique 2-stage analysis of the query compound. Various models were assessed and obtained results were thoroughly discussed.
Authors and Affiliations
Asma samaunnisa , C. H. S. Venkataramana, V Madhava
Keywords
Related Articles
- EP ID EP161719
- DOI 10.7897/2230-8407.04354
- Views 99
- Downloads 0
A COMPARATIVE STUDY OF ANTI-CATARACT ACTIVITY OF TRIPHALA AND ITS CONSTITUENTS
Cataract is referred as clouding of lens of the eyes, a major cause of blindness all over the world. There is a wide spread belief that the herbal medicines have fewer side effects compared to allopathic medicines. Hence...
HEPATOPROTECTIVE EFFECT OF ETHANOLIC EXTRACT OF FICUS MOLLIS ON PARACETAMOL INDUCED LIVER DAMAGE IN ALBINO RATS
The present study was conducted to evaluate the hepatoprotective activity of alcoholic extract of Ficus mollis stem bark against paracetamol induced liver damage in Albino rats. The alcoholic extract of stem bark of Ficu...
ISOLATION, PURIFICATION AND CHARACTERIZATION OF ACTIVE COMPOUND FROM ANDROGRAPHIS PANICULATA L AND PHYLLANTHUS AMARUS L AND TESTING THE ANTI-VENOM ACTIVITY OF THE DI-HERBAL EXTRACT BY IN-VITRO AND IN-VIVO STUDIES
The mortality associated with snake bites is a serious medical, social and economic problem in many countries and about 35,000 to 50,000 people reportedly die of snakebites in India; hence in this study an attempt has be...
DEVELOPMENT AND VALIDATION OF A BIOANALYTICAL METHOD FOR DETERMINATION OF QUETIAPINE FROM HUMAN PLASMA
A simple high-performance liquid chromatographic (HPLC) method for the analysis of the antipsychotic drug quetiapine fumarate in human plasma has been developed. Zolpidem tartrate was employed as the internal standard (I...
SYNTHESIS, CHARACTERIZATION AND PHARMACOLOGICAL EVALUATION OF STRUCTURALLY RELATED COMPOUNDS OF DIBENZOXEPIN AND DIBENZOTHIEPIN
This study was designed to synthesize, characterize and to evaluate the pharmacological activity of Dibenzoxepin and Dibenzothiepin derivatives. Totally three compounds, two Dibenzoxepin derivatives and one Dibenzothiepi...