Qsar Study of Some Ccr5 Antagonists As Anti-Hiv Agents Using Radial Basis Function Neural Network and General Regression Neural Network on the Basis of Principal Components

Science Communicator Platform

Stay connected! Follow us on X network (Twitter):

Share By

Qsar Study of Some Ccr5 Antagonists As Anti-Hiv Agents Using Radial Basis Function Neural Network and General Regression Neural Network on the Basis of Principal Components Publisher

Shahlaei M^{1, 2} ; Madadkarsobhani A^{3, 4} ; Fassihi A² ; Saghaie L² ; Arkan E⁵

Source: Medicinal Chemistry Research Published:2012

Abstract

Quantitative relationships between molecular structures and bioactivities of a set of CCR5 inhibitor derivatives were discovered. We have demonstrated the detailed application of two efficient nonlinear methods, general regression and radial basis function neural networks, for evaluation of quantitative structure-activity relationships of the studied compounds. Components produced by principal component analysis were used as input of the developed nonlinear models. Comparison between predictability of PC-GRNNs and PC-RBFNNs indicated that later method has higher ability to predict the activity of the studied molecules. In order to design novel derivatives of inhibitors with high activity and low side effects, and because experimental and calculated activities of molecules employed in the model development step, shown a good correlation, developed PC-RBFNNs QSAR model was used to calculate inhibitory activities of some suggested compounds. © Springer Science+Business Media, LLC 2011.

Related Docs

View other Related Docs

1. Statistically Validated Qsar Study of Some Antagonists of the Human Ccr5 Receptor Using Least Square Support Vector Machine Based on the Genetic Algorithm and Factor Analysis, Medicinal Chemistry Research (2013)

2. Application of Partial Least Squares and Radial Basis Function Neural Networks in Multivariate Imaging Analysis-Quantitative Structure Activity Relationship: Study of Cyclin Dependent Kinase 4 Inhibitors, Journal of Molecular Graphics and Modelling (2010)

3. Application of an Expert System Based on Genetic Algorithm-Adaptive Neuro-Fuzzy Inference System (Ga-Anfis) in Qsar of Cathepsin K Inhibitors, Expert Systems with Applications (2012)

Experts (# of related papers)

Afshin Fassihi (18)

Lotfollah Saghaie Dehkordi (13)

Other Related Docs

4. A Modeling Study of Aldehyde Inhibitors of Human Cathepsin K Using Partial Least Squares Method, Research in Pharmaceutical Sciences (2011)

5. Application of Pc-Ann and Pc-Ls-Svm in Qsar of Ccr1 Antagonist Compounds: A Comparative Study, European Journal of Medicinal Chemistry (2010)

6. Qsar Analysis for Some Diaryl-Substituted Pyrazoles As Ccr2 Inhibitors by Ga-Stepwise Mlr, Chemical Biology and Drug Design (2011)

7. Qsar Analysis of Some 1-(3,3-Diphenylpropyl)-Piperidinyl Amides and Ureas As Ccr5 Inhibitors Using Genetic Algorithm-Least Square Support Vector Machine, Medicinal Chemistry Research (2013)

8. Prediction of P38 Map Kinase Inhibitory Activity of 3, 4-Dihydropyrido [3, 2-D] Pyrimidone Derivatives Using an Expert System Based on Principal Component Analysis and Least Square Support Vector Machine, Research in Pharmaceutical Sciences (2014)

9. Linear and Nonlinear Qsar Modeling of 1,3,8-Substituted-9-Deazaxanthines As Potential Selective A2bar Antagonists, Medicinal Chemistry Research (2013)

10. Validated Qsar Analysis of Some Diaryl Substituted Pyrazoles As Ccr2 Inhibitors by Various Linear and Nonlinear Multivariate Chemometrics Methods, European Journal of Medicinal Chemistry (2010)

11. Qsar Study of Some 5-Methyl/Trifluoromethoxy-1H-Indole-2,3-Dione-3- Thiosemicarbazone Derivatives As Anti-Tubercular Agents, Research in Pharmaceutical Sciences (2009)

12. Comparative Quantitative Structure-Activity Relationship Study of Some 1-Aminocyclopentyl-3-Carboxyamides As Ccr2 Inhibitors Using Stepwise Mlr, Fa-Mlr, and Ga-Pls, Medicinal Chemistry Research (2012)

13. Stepwise Mlr and Pcr Qsar Study of the Pharmaceutical Activities of Antimalarial 3-Hydroxypyridinone Agents Using B3lyp/6-311++G* *Descriptors, Medicinal Chemistry Research (2013)

14. Qsar and Docking Analysis of A2b Adenosine Receptor Antagonists Based on Non-Xanthine Scaffold, Medicinal Chemistry Research (2015)

15. Quantitative Structure Activities Relationships of Some 2-Mercaptoimidazoles As Ccr2 Inhibitors Using Genetic Algorithm-Artificial Neural Networks, Research in Pharmaceutical Sciences (2013)

16. Qsar Study of Pett Derivatives As Potent Hiv-1 Reverse Transcriptase Inhibitors, Journal of Molecular Graphics and Modelling (2009)

17. A Qsar Study of Some Cyclobutenediones As Ccr1 Antagonists by Artificial Neural Networks Based on Principal Component Analysis, DARU, Journal of Pharmaceutical Sciences (2011)

18. Quantitative Structure-Activity Relationship Studies on 2-Amino-6-Arylsulfonylbenzonitriles As Human Immunodeficiency Viruses Type 1 Reverse Transcriptase Inhibitors Using Descriptors Obtained From Substituents and Whole Molecular Structures, Chemical Biology and Drug Design (2009)

19. Qsar Study of Antimicrobial 3-Hydroxypyridine-4-One and 3-Hydroxypyran-4-One Derivatives Using Different Chemometric Tools, International Journal of Molecular Sciences (2008)

20. Prediction of Partition Coefficient of Some 3-Hydroxy Pyridine-4-One Derivatives Using Combined Partial Least Square Regression and Genetic Algorithm, Research in Pharmaceutical Sciences (2014)

Style	Citing Format
MLA	Shahlaei M, et al.. "Qsar Study of Some Ccr5 Antagonists As Anti-Hiv Agents Using Radial Basis Function Neural Network and General Regression Neural Network on the Basis of Principal Components." Medicinal Chemistry Research, vol. 21, no. 10, 2012, pp. 3246-3262.
APA	Shahlaei M, Madadkarsobhani A, Fassihi A, Saghaie L, Arkan E (2012). Qsar Study of Some Ccr5 Antagonists As Anti-Hiv Agents Using Radial Basis Function Neural Network and General Regression Neural Network on the Basis of Principal Components. Medicinal Chemistry Research, 21(10), 3246-3262.
Chicago	Shahlaei M, Madadkarsobhani A, Fassihi A, Saghaie L, Arkan E. "Qsar Study of Some Ccr5 Antagonists As Anti-Hiv Agents Using Radial Basis Function Neural Network and General Regression Neural Network on the Basis of Principal Components." Medicinal Chemistry Research 21, no. 10 (2012): 3246-3262.
Harvard	Shahlaei M et al. (2012) 'Qsar Study of Some Ccr5 Antagonists As Anti-Hiv Agents Using Radial Basis Function Neural Network and General Regression Neural Network on the Basis of Principal Components', Medicinal Chemistry Research, 21(10), pp. 3246-3262.
Vancouver	Shahlaei M, Madadkarsobhani A, Fassihi A, Saghaie L, Arkan E. Qsar Study of Some Ccr5 Antagonists As Anti-Hiv Agents Using Radial Basis Function Neural Network and General Regression Neural Network on the Basis of Principal Components. Medicinal Chemistry Research. 2012;21(10):3246-3262.
BibTex	@article{ author = {Shahlaei M and Madadkarsobhani A and Fassihi A and Saghaie L and Arkan E}, title = {Qsar Study of Some Ccr5 Antagonists As Anti-Hiv Agents Using Radial Basis Function Neural Network and General Regression Neural Network on the Basis of Principal Components}, journal = {Medicinal Chemistry Research}, volume = {21}, number = {10}, pages = {3246-3262}, year = {2012} }
RIS	TY - JOUR AU - Shahlaei M AU - Madadkarsobhani A AU - Fassihi A AU - Saghaie L AU - Arkan E TI - Qsar Study of Some Ccr5 Antagonists As Anti-Hiv Agents Using Radial Basis Function Neural Network and General Regression Neural Network on the Basis of Principal Components JO - Medicinal Chemistry Research VL - 21 IS - 10 SP - 3246 EP - 3262 PY - 2012 ER -

Science Communicator Platform

Authors

Abstract