QSAR study of a series of acyl coenzyme A (CoA): cholesterol acyltransferase inhibitors using genetic function approximation

2010 ◽  
Vol 20 (9) ◽  
pp. 1573-1580 ◽  
Author(s):  
Mahesh T. Chhabria ◽  
Bhushan M. Mahajan ◽  
Pathik S. Brahmkshatriya
Keyword(s):  
Function Approximation ◽  
Coenzyme A ◽  
Cholesterol Acyltransferase ◽  
Genetic Function Approximation ◽  
Qsar Study ◽  
Genetic Function ◽  
Acyltransferase Inhibitors ◽  
Acyl Coenzyme A

Bavachin and isobavachalcone, acyl-coenzyme A: Cholesterol acyltransferase inhibitors from Psoralea corylifolia

2008 ◽  
Vol 31 (11) ◽  
pp. 1419-1423 ◽  
Author(s):  
Jung Ho Choi ◽  
Mun-Chual Rho ◽  
Seung Woong Lee ◽  
Ji Na Choi ◽  
Koanhoi Kim ◽  
...  
Keyword(s):  
Coenzyme A ◽  
Cholesterol Acyltransferase ◽  
Psoralea Corylifolia ◽  
Acyltransferase Inhibitors ◽  
Acyl Coenzyme A

QSAR Study on Imidazole Derivatives as Corrosion Inhibitors by Genetic Function Approximation Method

2016 ◽  
Vol 850 ◽  
pp. 426-432 ◽  
Author(s):  
Sang Xiong ◽  
Jian Lin Sun ◽  
Yang Xu ◽  
Xu Dong Yan
Keyword(s):  
Corrosion Inhibition ◽  
Function Approximation ◽  
Inhibition Efficiency ◽  
Topological Descriptors ◽  
Genetic Function Approximation ◽  
Qsar Study ◽  
Zagreb Index ◽  
Imidazole Derivatives ◽  
Genetic Function ◽  
Corrosion Inhibition Efficiency

Quantitative structure and activity relationship (QSAR) method is becoming more desirable for predicting of corrosion inhibition properties. The inhibition efficiency of organic compounds is dependent on many basic molecular descriptors, including structural descriptors, thermodynamic descriptors, information content descriptors, topological descriptors as Wiener index, Zagreb index and molecular connectivity indices. A genetic function approximation approach was used to run the regression analysis and establish correlations between different types of descriptors and measured corrosion inhibition efficiency for imidazole derivatives. A QSAR equation was developed and used to predict the corrosion inhibition efficiency for 18 imidazole derivatives. The prediction of corrosion efficiencies of these compounds nicely matched the experimental measurements.

scholarly journals 2D-QSAR Study of a Series of Pyrazoline-Based Anti-Tubercular Agents Using Genetic Function Approximation

2015 ◽  
Vol 03 (04) ◽  
pp. 45-53 ◽  
Author(s):  
Hemal M. Soni ◽  
Popatbhai K. Patel ◽  
Mahesh T. Chhabria ◽  
Dharmraj N. Rana ◽  
Bhushan M. Mahajan ◽  
...  
Keyword(s):  
Function Approximation ◽  
Genetic Function Approximation ◽  
Qsar Study ◽  
Genetic Function ◽  
2D Qsar

scholarly journals Discovery of Novel Acyl Coenzyme A: Cholesterol Acyltransferase Inhibitors: Pharmacophore-Based Virtual Screening, Synthesis and Pharmacology

2012 ◽  
Vol 80 (1) ◽  
pp. 106-113 ◽  
Author(s):  
Mahesh T. Chhabria ◽  
Pathik S. Brahmkshatriya ◽  
Bhushan M. Mahajan ◽  
Urvesh B. Darji ◽  
Gaurang B. Shah
Keyword(s):  
Virtual Screening ◽  
Coenzyme A ◽  
Cholesterol Acyltransferase ◽  
Acyltransferase Inhibitors ◽  
Acyl Coenzyme A

QSAR studies for the computational prediction of HMG-CoA reductase inhibitors by genetic function approximation technique

2013 ◽  
Vol 91 (4) ◽  
pp. 263-274 ◽  
Author(s):  
Mohamed K. Awad ◽  
Eman A. El-Bastawissy ◽  
Faten M. Atlam
Keyword(s):  
Biological Activity ◽  
Correlation Coefficient ◽  
Function Approximation ◽  
Approximation Technique ◽  
Genetic Function Approximation ◽  
Qsar Study ◽  
Genetic Function ◽  
2D Qsar ◽  
Qsar Models ◽  
Coa Reductase

Two-dimensional quantitative structure−activity relationship (2D-QSAR) models are useful in understanding how chemical structure is related to the biological activity of natural and synthetic chemicals. Also, they could be usefully employed for designing newer and better therapeutics. A 2D-QSAR study was performed for 52 compounds of a series of thiophenyl quinolines and α-asarone derivatives as potential hypocholesterolemic inhibitors using different types of physicochemical descriptors, which correlated significantly with the activity. Linear QSAR models were developed using multiple linear regression, where the genetic algorithm (genetic function approximation technique) was adopted for selecting the most appropriate descriptors. The results are discussed on the basis of regression data and the cross-validation technique. Model A is the best 2D-QSAR model describing the inhibition efficiency of HMG-CoA reductase with cross-validated squared correlation coefficient (Q 2 = 0.700) and the squared correlation coefficient (R 2 = 0.752), which is able to describe 70% of the variance in the experimental activity. The good agreement between the experimental and the predicted values of pIC50 (micromoles per litre) (R = 0.876) confirms the reliability and the predictability of the proposed model. The results obtained from the present QSAR study explained the importance of the electronic, structural, spatial, and electrotopological descriptors in enhancing the biological activity of the investigated inhibitors.

Ontogeny of acyl-CoA: cholesterol acyltransferase in rat liver, intestine, and adipose tissue

1992 ◽  
Vol 262 (4) ◽  
pp. G599-G602
Author(s):  
M. T. Little ◽  
P. Hahn
Keyword(s):  
Adipose Tissue ◽  
Rat Liver ◽  
Animal Studies ◽  
Coenzyme A ◽  
Cholesterol Metabolism ◽  
Cholesterol Acyltransferase ◽  
Dietary Manipulation ◽  
Acat Activity ◽  
Brown Adipose ◽  
Acyl Coenzyme A

The development of acyl-coenzyme A: cholesterol acyltransferase (ACAT), was determined in the rat liver, intestine, and white (WAT) and brown adipose tissue (BAT). Animal studies have shown that dietary manipulation of cholesterol metabolism during an animal's early development can have persistent and permanent effects. Therefore it is important that the ontogeny of ACAT, one of the key enzymes in cholesterol metabolism, be clearly established. White Wistar rats were killed on day 21 of gestation, at birth, and on postnatal days 10, 14, 18, 21, 22, 25, 30, and 60. The tissues were rapidly excised, microsomes were prepared, and the activity of ACAT was measured as the rate of incorporation of [1-14C]oleoyl coenzyme A into cholesterol esters. Age-specific changes were observed in three of the four tissues investigated. Rat liver and intestine possess significant amounts of ACAT activity throughout development with marked variations in activity during this time. ACAT activity in BAT is low and variable throughout development with the exception of high activity noted in the adult animal. WAT contained little or no ACAT activity during development.

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