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Subject: QSAR Year: 2020

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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: 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: 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: Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screening
Author: Dietrich, Roque Carlos / Alberca, Lucas Nicolás / Ruiz, María Daniela / Palestro, Pablo Hernán / Carrillo, Carolina / Talevi, Alan / Gavernet, Luciana
Language: Inglés
Repository: 37
Subject: Química / Chagas disease / Cisapride / Docking / Drug repositioning / QSAR / TcPAT12 / TcPOT1.1.

Acceder

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