EventsThe 16th International Electronic Conference on Synthetic Organic Chemistry
Event submissions
Published
with-doi10.3390/ecsoc-16-01072
This submission belongs to the session e. Computational Chemistry of the event The 16th International Electronic Conference on Synthetic Organic Chemistry
Published date
30 Oct, 2012
Citation
Concepción Abad, Francisco Torrens, Yovani Marrero-Ponce, Alicia Gómez-Barrio, José A. Escario, Miriam Rolón, Maria C Vega, Arnold Romero Bohorquez, Crisitan Ochoa Puentes, Vladimir V Kouznetsov, Oremia del Toro-Cortés, Juan Alberto Castillo-Garit, Identification <i>In Silico</i> and <i>In Vitro</i> of Novel Trypanosomicidal Drug-like Compounds, in Proceedings of The 16th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2012, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-16-01072
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Identification In Silico and In Vitro of Novel Trypanosomicidal Drug-like Compounds

Juan Alberto Castillo-Garit 1,2,3,4
Oremia del Toro-Cortés 1
Vladimir V Kouznetsov 5
Crisitan Ochoa Puentes 5
Arnold Romero Bohorquez 5
Maria C Vega 6
Miriam Rolón 6
José A. Escario 7
Alicia Gómez-Barrio 7
Yovani Marrero-Ponce 2,4
Francisco Torrens 4
Concepción Abad 3
1. Applied Chemistry Research Center, Faculty of Chemistry-Pharmacy, Universidad Central “Marta Abreu” de Las Villas, Santa Clara, 54830, Villa Clara, Cuba
2. Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit), Faculty of Chemistry-Pharmacy. Universidad Central “Marta Abreu” de Las Villas, Santa Clara, 54830, Villa Clara, Cuba
3. Departament de Bioquímica i Biologia Molecular, Universitat de València, E-46100 Burjassot, Spain
4. Institut Universitari de Ciència Molecular, Universitat de València, Edifici d'Instituts de Paterna, P.O. Box 22085, E-46071, València, Spain
5. Laboratorio de Química Orgánica y Biomolecular, Escuela de Química, Universidad Industrial de Santander, Bucaramanga, Colombia
6. Centro para el Desarrollo de la Investigacion Cientifica (CEDIC), Pai Perez 265 casi Mariscal Estigarribia. Asuncion-Paraguay
7. Departamento de Parasitología, Facultad de Farmacia, UCM, Pza. Ramón y Cajal s/n, 28040 Madrid
Abstract
Keywords
Atom-based bilinear indices
Anti-epimastigote elimination
Cytotoxicity
Trypanosoma cruzi
Trypanosomicidal
virtual screening