F
Froylán Ibarra-Velarde
Researcher at National Autonomous University of Mexico
Publications - 54
Citations - 710
Froylán Ibarra-Velarde is an academic researcher from National Autonomous University of Mexico. The author has contributed to research in topics: Fasciola hepatica & Triclabendazole. The author has an hindex of 14, co-authored 53 publications receiving 644 citations.
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Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic.
Yovani Marrero-Ponce,Juan A. Castillo-Garit,Ervelio Olazabal,Hector S. Serrano,Alcidez Morales,Nilo Castañedo,Froylán Ibarra-Velarde,Alma Huesca-Guillen,Alicia M. Sánchez,Francisco Torrens,Eduardo A. Castro +10 more
TL;DR: A novel atom-level chemical descriptor has been applied to estimate the anthelmintic activity and results suggest that the proposed method will be a good tool for studying the biological properties of drug candidates during the early state of the drug-development process.
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Tomocomd-Cardd, a novel approach for computer-aided ‘rational’ drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds
Yovani Marrero-Ponce,Juan A. Castillo-Garit,Ervelio Olazabal,Hector S. Serrano,Alcidez Morales,Nilo Castañedo,Froylán Ibarra-Velarde,Alma Huesca-Guillen,Elisa Jorge,Arletys del Valle,Francisco Torrens,Eduardo A. Castro +11 more
TL;DR: The proposed TOMOCOMD-CARDD approach to estimate the anthelmintic activity suggests that the proposed method will be a good tool for studying the biological properties of drug candidates during the early state of the drug-development process.
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Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs.
Yovani Marrero-Ponce,Alfredo Meneses-Marcel,Juan A. Castillo-Garit,Yanetsy Machado-Tugores,José Antonio Escario,Alicia Barrio,David Montero Pereira,Juan José Nogal-Ruiz,Vicente J. Arán,A.R. Martínez-Fernández,Francisco Torrens,Richard Rotondo,Froylán Ibarra-Velarde,Ysaias Alvarado +13 more
TL;DR: The LDA-based QSAR models presented here can be considered as a computer-assisted system that could potentially significantly reduce the number of synthesized and tested compounds and increase the chance of finding new chemical entities with antitrichomonal activity.
Journal ArticleDOI
Synthesis and Fasciolicidal Activity of 5-Chloro-2-methylthio-6- (1-naphthyloxy)-1H-benzimidazole**
Alicia Hernández-Campos,Froylán Ibarra-Velarde,Yolanda Vera-Montenegro,Norma Rivera-Fernández,Rafael R. Castillo +4 more
TL;DR: Compound 6 showed 100% activity in vitro at 146.70 and 29.34 microM concentrations and completely removed 3-d and 10-week-old Fasciola hepatica in sheep at a dose of 15 mg/kg.
Journal ArticleDOI
Quadratic indices of the ‘molecular pseudograph's atom adjacency matrix’ and their stochastic forms: a novel approach for virtual screening and in silico discovery of new lead paramphistomicide drugs-like compounds
TL;DR: In this article, two linear discriminant analysis models were obtained for the classification of paramphistomicide compounds from inactive ones using non-stochastic descriptors and classifies correctly 95.00% of active compounds and 86.67% of non-active ones.