- About this Journal ·
- Abstracting and Indexing ·
- Aims and Scope ·
- Article Processing Charges ·
- Articles in Press ·
- Author Guidelines ·
- Bibliographic Information ·
- Citations to this Journal ·
- Contact Information ·
- Editorial Board ·
- Editorial Workflow ·
- Free eTOC Alerts ·
- Publication Ethics ·
- Submit a Manuscript ·
- Subscription Information ·
- Table of Contents
Volume 2011 (2011), Article ID 186943, 5 pages
Molecular-Field-Based Three-Dimensional Similarity Studies on Quinoline-Based CNS Active Agents
University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh 160014, India
Received 9 June 2011; Accepted 6 July 2011
Academic Editors: B. Nigovic, R. Veerasamy, and C. Zacharis
Copyright © 2011 Alka Bali. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
- N. Nikolova and J. Jaworska, “Approaches to measure chemical similarity: a review,” QSAR and Combinatorial Science, vol. 22, no. 9-10, pp. 1006–1026, 2004.
- R. C. Glen and S. E. Adams, “Similarity metrics and descriptor spaces: which combinations to choose?” QSAR and Combinatorial Science, vol. 25, no. 12, pp. 1133–1142, 2006.
- A. Bender and R. C. Glen, “Molecular similarity: a key technique in molecular informatics,” Organic and Biomolecular Chemistry, vol. 2, no. 22, pp. 3204–3218, 2004.
- D. E. Patterson, R. D. Cramer, A. M. Ferguson, R. D. Clark, and L. E. Weinberger, “Neighborhood behavior: a useful concept for validation of “molecular diversity” descriptors,” Journal of Medicinal Chemistry, vol. 39, no. 16, pp. 3049–3059, 1996.
- P. Willett, J. M. Barnard, and G. M. Downs, “Chemical similarity searching,” Journal of Chemical Information and Computer Sciences, vol. 38, no. 6, pp. 983–996, 1998.
- M. A. Johnson and G. M. Maggiora, Concepts and Applications of Molecular Similarity, John Wiley & Sons, New York, NY, USA, 2005.
- Y. C. Martin, J. L. Kofron, and L. M. Traphagen, “Do structurally similar molecules have similar biological activity?” Journal of Medicinal Chemistry, vol. 45, no. 19, pp. 4350–4358, 2002.
- H. Kubinyi, “Similarity and dissimilarity: a medicinal chemist's view,” Perspectives in Drug Discovery and Design, vol. 9–11, no. 0, pp. 225–252, 1998.
- D. R. Flower, “On the properties of bit string-based measures of chemical similarity,” Journal of Chemical Information and Computer Sciences, vol. 38, no. 3, pp. 379–386, 1998.
- J. D. Holliday, C. Y. Hu, and P. Willett, “Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings,” Combinatorial Chemistry and High Throughput Screening, vol. 5, no. 2, pp. 155–166, 2002.
- J. Mestres, D. C. Rohrer, and G. M. Maggiora, “A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors,” Journal of Computer-Aided Molecular Design, vol. 13, no. 1, pp. 79–93, 1999.
- J. Mestres, D. C. Rohrer, and G. M. Maggiora, “MIMIC: a molecular-field matching program: exploiting applicability of molecular similarity approaches,” Journal of Computational Chemistry, vol. 18, no. 7, pp. 934–954, 1997.
- M. C. Pitman, W. K. Huber, H. Horn, A. Krämer, J. E. Rice, and W. C. Swope, “Flashflood: a 3D field-based similarity search and alignment method for flexible molecules,” Journal of Computer-Aided Molecular Design, vol. 15, no. 7, pp. 587–612, 2001.
- J. Mestres, D. C. Rohrer, and G. M. Maggiora, “A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors: 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching,” Journal of Computer-Aided Molecular Design, vol. 14, no. 1, pp. 39–51, 2000.
- D. A. Thorner, D. J. Wild, P. Willett, and P. M. Wright, “Similarity searching in files of three-dimensional chemical structures: flexible field-based searching of molecular electrostatic potentials,” Journal of Chemical Information and Computer Sciences, vol. 36, no. 4, pp. 900–908, 1996.
- A. Bali, S. Malhotra, H. Dhir, A. Kumar, and A. Sharma, “Synthesis and evaluation of 1-(quinoliloxypropyl)-4-aryl piperazines for atypical antipsychotic effect,” Bioorganic and Medicinal Chemistry Letters, vol. 19, no. 11, pp. 3041–3044, 2009.