Yunierkis Perez-Castillo
Yunierkis Perez-Castillo
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Synthesis and study of a series of 3-arylcoumarins as potent and selective monoamine oxidase B inhibitors
MJ Matos, C Teran, Y Perez-Castillo, E Uriarte, L Santana, D Vina
Journal of medicinal chemistry 54 (20), 7127-7137, 2011
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
M Cruz-Monteagudo, JL Medina-Franco, Y Perez-Castillo, O Nicolotti, ...
Drug Discovery Today 19 (8), 1069-1080, 2014
HP-Lattice QSAR for dynein proteins: experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence
MA Dea-Ayuela, Y Pérez-Castillo, A Meneses-Marcel, FM Ubeira, ...
Bioorganic & medicinal chemistry 16 (16), 7770-7776, 2008
Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices
H González‐Díaz, Y Pérez‐castillo, G Podda, E Uriarte
Journal of computational chemistry 28 (12), 1990-1995, 2007
SARS‐CoV‐2, an evolutionary perspective of interaction with human ACE2 reveals undiscovered amino acids necessary for complex stability
V Armijos‐Jaramillo, J Yeager, C Muslin, Y Perez‐Castillo
Evolutionary Applications 13 (9), 2168-2178, 2020
Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 Mpro Protease
E Tejera, CR Munteanu, A López-Cortés, A Cabrera-Andrade, ...
Molecules 25 (21), 5172, 2020
OncoOmics approaches to reveal essential genes in breast cancer: a panoramic view from pathogenesis to precision medicine
A López-Cortés, C Paz-y-Miño, S Guerrero, A Cabrera-Andrade, ...
Scientific reports 10 (1), 5285, 2020
Gene prioritization, communality analysis, networking and metabolic integrated pathway to better understand breast cancer pathogenesis
A López-Cortés, C Paz-y-Miño, A Cabrera-Andrade, SJ Barigye, ...
Scientific reports 8 (1), 16679, 2018
Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery
M Cruz-Monteagudo, S Schürer, E Tejera, Y Perez-Castillo, ...
Drug discovery today 22 (7), 994-1007, 2017
Bioactive terpenes and their derivatives as potential SARS-CoV-2 proteases inhibitors from molecular modeling studies
LRL Diniz, Y Perez-Castillo, HA Elshabrawy, CSMB Filho, DP de Sousa
Biomolecules 11 (1), 74, 2021
Consensus strategy in genes prioritization and combined bioinformatics analysis for preeclampsia pathogenesis
E Tejera, M Cruz-Monteagudo, G Burgos, ME Sánchez, ...
BMC medical genomics 10, 1-19, 2017
Efficient and biologically relevant consensus strategy for Parkinson’s disease gene prioritization
M Cruz-Monteagudo, F Borges, C Paz-y-Miño, M Cordeiro, I Rebelo, ...
BMC medical genomics 9 (1), 1-25, 2016
GA (M) E-QSAR: a novel, fully automatic genetic-algorithm-(meta)-ensembles approach for binary classification in ligand-based drug design
Y Perez-Castillo, C Lazar, J Taminau, M Froeyen, MÁ Cabrera-Pérez, ...
Journal of chemical information and modeling 52 (9), 2366-2386, 2012
Trypanocidal Mechanism of Action and in silico Studies of p-Coumaric Acid Derivatives
SP Lopes, YP Castillo, ML Monteiro, RR Menezes, RN Almeida, ...
International journal of molecular sciences 20 (23), 5916, 2019
From flamingo dance to (desirable) drug discovery: a nature-inspired approach
A Sánchez-Rodríguez, Y Pérez-Castillo, SC Schürer, O Nicolotti, ...
Drug discovery today 22 (10), 1489-1502, 2017
Bacterial beta-ketoacyl-acyl carrier protein synthase III (FabH): an attractive target for the design of new broad-spectrum antimicrobial agents.
YP Castillo, MA Perez
Mini reviews in medicinal chemistry 8 (1), 36-45, 2008
Bioactivity and molecular docking studies of derivatives from cinnamic and benzoic acids
Y Perez-Castillo, TC Lima, AR Ferreira, CR Silva, RS Campos, JBA Neto, ...
BioMed Research International 2020, 1-13, 2020
CompScore: boosting structure-based virtual screening performance by incorporating docking scoring function components into consensus scoring
Y Perez-Castillo, S Sotomayor-Burneo, K Jimenes-Vargas, ...
Journal of chemical information and modeling 59 (9), 3655-3666, 2019
Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling
Y Pérez-Castillo, M Froeyen, MA Cabrera-Pérez, A Nowé
Journal of computer-aided molecular design 25, 371-393, 2011
NFBTA: a potent cytotoxic agent against glioblastoma
H Turkez, FR Nóbrega, O Ozdemir, CSM Bezerra Filho, RN Almeida, ...
Molecules 24 (13), 2411, 2019
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