EventsThe 12th International Electronic Conference on Synthetic Organic Chemistry
Event submissions
Published
with-doi10.3390/ecsoc-12-01278
This submission belongs to the session g. Computational Chemistry of the event The 12th International Electronic Conference on Synthetic Organic Chemistry
Published date
24 Nov, 2008
Citation
Yovani Marrero-Ponce, Gerardo M. Casañola-Martín, Mahmud Tareq Hassan Khan, Arjumand Ather, Kalid M. Khan, Vicente Romero Zaldivar, Francisco Torrens, Richard Rotondo, Facundo Pérez-Jiménez, Bond-Based 2D Quadratic Fingerprints in QSAR Studies. Virtual and In Vitro Tyrosinase Inhibitory Activity Elucidation, in Proceedings of The 12th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2008, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-12-01278
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Bond-Based 2D Quadratic Fingerprints in QSAR Studies. Virtual and In Vitro Tyrosinase Inhibitory Activity Elucidation

Yovani Marrero-Ponce 1,2,3
Gerardo M. Casañola-Martín 1,4
Mahmud Tareq Hassan Khan 5,6
Arjumand Ather 7
Kalid M. Khan 8
Vicente Romero Zaldivar 9
Francisco Torrens 2
Richard Rotondo 10
Facundo Pérez-Jiménez 3
1. Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit), Department of Pharmacy, Faculty of Chemistry-Pharmacy and Department of Drug Design, Chemical Bioactive Center. Central University of Las Villas, Santa Clar
2. Institut Universitari de Ciència Molecular, Universitat de València, Edifici d'Instituts de Paterna, Polígon la Coma s/n P. O. Box 22085, E-46071 Valencia, Spain
3. Unidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València, València, Spain
4. Department of Biological Sciences, Faculty of Agricultural Sciences, University of Ciego de Avila, 69450, Ciego de Avila, Cuba
5. Pharmacology Research Lab., Faculty of Pharmaceutical Sciences, University of Science and Technology, Chittagong, Bangladesh
6. Department of Pharmacology, Institute of Medical Biology, University of Tromso, Tromso 9037, Norway
7. The Norwegian Structural Biology Centre (NorStruct), University of Tromso, Tromso 9037, Norway
8. HEJ Research Institute of Chemistry, University of Karachi, Pakistan
9. Faculty of Informatics, University of Cienfuegos, Cienfuegos 59430, Cuba
10. Advanced Medisyns, Inc. 601 Carlson Parkway, Suite 1050, Minnetonka, Minnesota 55305, USA
Abstract
Keywords
TOMOCOMD-CARDD Software
Non-Stochastic and StochasticBond-Based Quadratic Indices
LDA-Based QSAR Model
Tyrosinase Inhibitor
Virtual Screening
Lignan