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3D-QSAR methodologies and molecular modeling in bioinformatics for the search of novel anti-HIV therapies: Rational design of entry inhibitors
ReviewAbstract: Human immunodeficiency virus (HIV) is the responsible causal agent of acquired immunodeficiency syndPalabras claves:3D-QSAR, Anti-HIV, CCR5, CXCR4, Fragments, Gp120, Homology modeling, linear discriminant analysis, Molecular docking, QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M., 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:scopusCurrent drug design of anti-HIV agents through the inhibition of C-C chemokine receptor type 5
ReviewAbstract: Human immunodeficiency virus (HIV) is the responsible causal agent of acquired immunodeficiency syndPalabras claves:CCR5 inhibitors, QSAR, 3D-QSAR, anti-HIV, linear discriminant analysis, fragmentsAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusFragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins
ArticleAbstract: Breast cancer is the most frequent cancer reported in women, being responsible for hundreds of thousPalabras claves:Breast Cancer, design, Fragments, Mtk-computational model, multi-target inhibitor, quantitative contributionsAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusErratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins (Molecular Diversity, (2017), 21, 3, (511-523), 10.1007/s11030-017-9731-1)
OtherAbstract: In the original publication, the equations were published incorrectly. The corrected equations are gPalabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusNosocomial infections: An increasing challenge to medicinal chemistry
OtherAbstract:Palabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M., Scotti M.T.Fuentes:scopusPTML Modeling for Pancreatic Cancer Research: In Silico Design of Simultaneous Multi-Protein and Multi-Cell Inhibitors
ArticleAbstract: Pancreatic cancer (PANC) is a dangerous type of cancer that is a major cause of mortality worldwidePalabras claves:Caspase-1, cell line, Fragment, IGF1R, MLP, multi-target, pancreatic cancer, TNF-alpha, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopusIn silico studies for bacterystic evaluation against staphylococcus aureus of 2-naphthoic acid analogues
ArticleAbstract: Background: Staphylococcus aureus is a gram-positive spherical bacterium commonly present in nasal fPalabras claves:2-Naphthoic Acid Analogues, Cytotoxicity risks, KNIME Analytics Platform, Lipinski rule, PHENOLIC COMPOUNDS, STAPHYLOCOCCUS AUREUSAutores:Alejandro Speck-Planche, Costa Barros R.P., Messias Monteiro A.F., Scotti L., Scotti M.T.Fuentes:scopusUnified multi-target approach for the rational in silico design of anti-bladder cancer agents
ArticleAbstract: Bladder cancer (BLC) is a very dangerous and common disease which is characterized by an uncontrollePalabras claves:artificial neural networks, bladder cancer, Fragments, In silico design, linear discriminant analysis, Molecular descriptors, Mt- QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusSilico discovery and virtual screening of multi-target inhibitors for proteins in mycobacterium tuberculosis
ArticleAbstract: Mycobacterium tuberculosis (MTB) is the principal pathogen which causes tuberculosis (TB), a diseasePalabras claves:Anti-TB activity, bioinformatics, chemoinformatics, Fragment contributions, Inhibitors, linear discriminant analysis, mt-QSAR, Protein sequenceAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopus