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Subject: QSAR

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Title: Multi-output model with box-jenkins operators of quadratic indices for prediction of malaria and cancer inhibitors targeting ubiquitin-proteasome pathway (UPP) proteins
Author: Casañola-Martin G.M. / Le-Thi-Thu H. / Pérez-Giménez F. / Marrero-Ponce Y. / Merino-Sanjuán M. / Abad C. / González-Díaz H.
Language: Inglés
Repository: 61
Subject: Atom-based quadratic indices / Cancer / CHEMBL / Malaria / Moving average / Multi-scale and multi-output model / Multi-target / QSAR / UPP inhibitor / Antineoplastic agent / Proteasome / Ubiquitin / Antimalarial agent / ALMA model / Apoptosis / Article / Bob Jenkins operator / Cell cycle / Computer program / Diagnostic accuracy / DNA repair / Gene expression / Model / Mus musculus / Oryctolagus cuniculus / Plasmodium falciparum / Quantitative structure activity relation / Rattus norvegicus / Sensitivity and specificity / Signal transduction / Biology / Drug database / Drug development / Drug effects / Human / Metabolism / Molecularly targeted therapy / Neoplasms / Protein degradation / Antimalarials / Antineoplastic agents / Computational Biology / Databases, Pharmaceutical / Drug Discovery / Humans / Molecular Targeted Therapy / Proteasome Endopeptidase Complex / Proteolysis
Title: Molecular Modeling Studies Of Bromopyrrole Alkaloids As Potential Antimalarial Compounds: A DFT Approach
Author: Flores, Maryury C / Marquez Brazon, Edgar Alexander / Mora, Jose R
Language: Inglés
Repository: 57
Subject: Antimalarial / Computational Study / DFT / HOMO / Nitrogen Compounds / QSAR

Acceder
Title: QSAR and molecular docking modelling of anti-leishmanial activities of organic selenium and tellurium compounds
Author: Cabrera, Nicolas / Mora, Jose R / Márquez, E. / Flores-Morales, Virginia / Calle, L. / Cortés, E.
Language: Inglés
Repository: 57
Subject: Leishmaniasis / QSAR / Docking analysis / Protozoan parasites / Organic selenium compounds
Title: Modelling the anti-methicillin-resistant staphylococcus aureus (MRSA) activity of cannabinoids: a QSAR and Docking study
Author: Eliceo Cortes, Eliceo / Mora, José / Márquez, Edgar
Language: Inglés
Repository: 57
Subject: Cannabinoids / Anti-MRSA / QSAR / Molecular docking / DFT
Title: In silico antibacterial activity modeling based on the TOMOCOMD-CARDD approach
Author: Castillo-Garit, J.A. / Marrero-Ponce, Y. / Barigye, S.J. / Medina-Marrero, R. / Bernal, M.G. / De La Vega, J.M.G. / Torrens, F. / Arán, V.J. / Pérez-Giménez, F. / García-Domenech, R. / Acevedo Barrios, Rosa
Language: Inglés
Repository: 61
Subject: Antibacterial activity / Atom-based bilinear index / Linear discriminant analysis / QSAR / TOMOCOMD-CARDD software / Virtual screening
Title: Conformation-Independent QSAR Study on Human Epidermal Growth Factor Receptor-2 (HER2) Inhibitors
Author: Duchowicz, Pablo Román / Fioressi, Silvina E. / Castro, Eduardo Alberto / Wróbel, Karolina / Ibezim, Nnenna E. / Bacelo, Daniel E.
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Física / Química / cancer / HER2 / QSAR / tyrosine kinase protein

Acceder
Title: Diseño in silico de nuevos análogos de enalapril (inhibidores de la ECA) utilizando QSAR y modelos de acoplamiento molecular / In-silico design of new Enalapril analogs (ACE inhibitors) using QSAR and molecular docking models
Author: Gonzalez Amaya, Jhon Alex / Zambrano Cabrera, Daniella / Mojica Matallana, Alejandra / González Arevalo, Karen / Guevara Pulido, James
Language: Inglés
Repository: 75
Subject: QSAR / Docking / IC50 / MLR / PLS

Acceder
Title: QSAR studies on aminopyrazoles for the prediction of inhibition of CDK2/Cyclin A as antitumor agents
Author: Jain, Sonika / Kishore, Dharma / Dwivedi, Jaya
Language: Inglés
Repository: 37
Subject: Farmacia / Quinasas Ciclina-Dependientes / Pirazoles / QSAR / Hansch analysis / 3-aminopyrazole derivatives / Lipinski's rule

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Title: Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM)
Author: Fernandez, M. / Caballero, J. / Fernandez, L. / Sarai, A.
Language: Inglés
Repository: 27
Subject: Drug design / Enzyme inhibition / Feature selection / In silico modeling / QSAR / Review / SAR / Structure-activity relationships

Acceder
Title: 3D-QSAR Modeling of Non-peptide Antagonists for the Human Luteinizing Hormone-releasing Hormone Receptor
Author: Tundidor-Camba, A. / Caballero, J. / Coll, D.
Language: Inglés
Repository: 27
Subject: Non-peptide LHRH antagonists / CoMSIA / QSAR

Acceder

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