EventsThe 10th International Electronic Conference on Synthetic Organic Chemistry
Event submissions
Published
with-doi10.3390/ecsoc-10-01418
This submission belongs to the session c. Bioorganic Chemistry and Natural Products of the event The 10th International Electronic Conference on Synthetic Organic Chemistry
Published date
30 Nov, 2006
Citation
Yovani Marrero-Ponce, Alfredo Meneses-Marcel, Oscar M. Rivera-Borroto, Alina Montero, José Antonio Escario, Alicia Gómez Barrio, David Pereira Pereira, Juan José Nogal, Ricardo Grau, Francisco Torrens, Froylán Ibarra-Velarde, Richard Rotondo, Ysaias J. Alvarado, Christian Vogel, Lizet Rodriguez-Machin, Quick Access to Potential Trichomonacidals through Bond Linear Indices-Trained Ligand-Based <i>virtual</i> Screening Models, in Proceedings of The 10th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2006, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-10-01418
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Quick Access to Potential Trichomonacidals through Bond Linear Indices-Trained Ligand-Based virtual Screening Models

Yovani Marrero-Ponce 1,2
Alfredo Meneses-Marcel 1,2
Oscar M. Rivera-Borroto 1,2
Alina Montero 1
José Antonio Escario 3
Alicia Gómez Barrio 3
David Pereira Pereira 3
Juan José Nogal 3
Ricardo Grau 4
Francisco Torrens 2
Froylán Ibarra-Velarde 5
Richard Rotondo
Ysaias J. Alvarado 6
Christian Vogel 7
Lizet Rodriguez-Machin 1
1. Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit), Faculty of Chemistry-Pharmacy and Department of Drug Design, Chemical Bioactive Center. Central University of Las Villas, Santa Clara, 54830, Villa Clara, C
2. Institut Universitari de Ciència Molecular, Universitat de València, Edifici d'Instituts de Paterna, P.O. Box 22085, E-46071, València, Spain
3. Departamento de Parasitología, Facultad de Farmacia, UCM, Pza. Ramón y Cajal s/n, 28040 Madrid, Spain
4. Bioinformatics Group, Center of Studies on Informatics (CEI), Faculty of Mathematics, Physics and Computer Science. Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba
5. Department of Parasitology, Faculty of Veterinarian Medicinal and Zootecnic, UNAM, Mexico, D.F. 04510, Mexico fMediscovery, Inc. Suite 1050, 601 Carlson Parkway, Minnetonka, MN 55305, USA
6. Laboratorio de Electrónica Molecular, Departamento de Química, Modulo II, grano de Oro, Facultad Experimental de Ciencias, La Universidad del Zulia (LUZ), Venezuela
7. Universität Rostock, Institut für Chemie, Abteilung für Organische Chemie, Albert-Einstein-Straße 3a, 18059 Rostock, Germany
Abstract
Keywords
<i>TOMOCOMD-CARDD</i> Software
Bond-based Linear Indices
LDAassisted QSAR Models
virtual Screening
Trichomonacidal
in vitro Cytostatic and Cytocidal Activity