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Current Topics in Medicinal Chemistry(3)
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scopus(19)
Chapter 16: Demystifying Artificial Neural Networks as Generators of New Chemical Knowledge: Antimalarial Drug Discovery as a Case Study
Book PartAbstract: Artificial neural networks have revolutionized the drug discovery process. Nevertheless, two handicaPalabras claves:Autores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopusChemoinformatics in anti-cancer chemotherapy: Multi-target QSAR model for the in silico discovery of anti-breast cancer agents
ArticleAbstract: The discovery of new and more efficient anti-cancer chemotherapies is a field of research in expansiPalabras claves:Anti-BC activity, BC cell lines, In silico design, linear discriminant analysis, mt-QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusChemoinformatics in multi-target drug discovery for anti-cancer therapy: In silico design of potent and versatile anti-brain tumor agents
ArticleAbstract: A brain tumor (BT) constitutes a neoplasm located in the brain or the central spinal canal. The numbPalabras claves:Anti-BT activity, Atom-centered fragments, brain tumor, BT cell lines, chemoinformatics, Drug-receptor interactions, Fragment, Functional group counts, Linear additivity, linear discriminant analysis, Multi-target QSAR, quantitative contributions, ROC curve, Spectral moments, Substructural alertsAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusComputational drug repurposing for antituberculosis therapy: Discovery of multi-strain inhibitors
ArticleAbstract: Tuberculosis remains the most afflicting infectious disease known by humankind, with one quarter ofPalabras claves:artificial neural networks, drug repurposing, ensemble, MLP, QSAR, Strain, Tuberculosis, Virtual ScreeningAutores:Alejandro Speck-Planche, Kleandrova V.V., Scotti M.T.Fuentes:scopusA ligand-based approach for the in silico discovery of multi-target inhibitors for proteins associated with HIV infection
ArticleAbstract: Acquired immunodeficiency syndrome (AIDS) is a dangerous disease, which damages the immune system cePalabras claves:Autores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusCell-based multi-target QSAR model for design of virtual versatile inhibitors of liver cancer cell lines
ArticleAbstract: Liver cancers are one of the leading fatal diseases among malignant neoplasms. Current chemotherapeuPalabras claves:ANTICANCER, Artificial Neural Network, Fragment, Liver cancer, multi-target, QSAR, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V., Nayarisseri A., Scotti L., Scotti M.T.Fuentes:scopusFragment-based QSAR model toward the selection of versatile anti-sarcoma leads
ArticleAbstract: A sarcoma is a type of cancer which is originated from the connective tissue cells. With the time, sPalabras claves:Anti-sarcoma activity, Fragments, linear discriminant analysis, Multi-target QSARAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusEnabling the Discovery and Virtual Screening of Potent and Safe Antimicrobial Peptides. Simultaneous Pbkp_rediction of Antibacterial Activity and Cytotoxicity
ArticleAbstract: Antimicrobial peptides (AMPs) represent promising alternatives to fight against bacterial pathogens.Palabras claves:alanine scanning, AMP, autocorrelations, Contributions, Mtk-computational modelAutores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusMulti-target Drug Discovery via PTML Modeling: Applications to the Design of Virtual Dual Inhibitors of CDK4 and HER2
ArticleAbstract: Background: Cyclin-dependent kinase 4 (CDK4) and the human epidermal growth factor receptor 2 (HER2)Palabras claves:Artificial Neural Network, Cáncer, Fragment, Local contributions, Pseudo-linear equation, PTML model, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V., Scotti L., Scotti M.T.Fuentes:scopusMulti-target drug discovery in anti-cancer therapy: Fragment-based approach toward the design of potent and versatile anti-prostate cancer agents
ArticleAbstract: Prostate cancer (PCa) is the second-leading cause of cancer deaths among men in the around the worldPalabras claves:Fragments, linear discriminant analysis, Multi-target QSAR, Prostate cancer, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopus