Documentos de Scotti M.T. | REDI

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Mostrando 10 resultados de: 12

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Área de conocimiento: "Farmacología"

Subtipo de publicación

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Current Topics in Medicinal Chemistry(4)

Current Bioinformatics(2)

Biomolecules(1)

Current Pharmaceutical Design(1)

Área temáticas

Farmacología y terapéutica(8)

Química física(3)

Ciencias de la computación(2)

Enfermedades(2)

Medicina y salud(2)

Área de conocimiento

Descubrimiento de fármacos(5)

Inmunología(1)

Medicina interna(1)

Año de Publicación

Origen

Palabras Claves

Virtual Screening(3)

Artificial Neural Network(2)

Discriminant analysis(2)

Computational drug repurposing for antituberculosis therapy: Discovery of multi-strain inhibitors

Abstract: Tuberculosis remains the most afflicting infectious disease known by humankind, with one quarter of

Palabras claves:

artificial neural networks, drug repurposing, ensemble, MLP, QSAR, Strain, Tuberculosis, Virtual Screening

Alejandro Speck-Planche, Kleandrova V.V., Scotti M.T.

3D-QSAR methodologies and molecular modeling in bioinformatics for the search of novel anti-HIV therapies: Rational design of entry inhibitors

Abstract: Human immunodeficiency virus (HIV) is the responsible causal agent of acquired immunodeficiency synd

Palabras claves:

3D-QSAR, Anti-HIV, CCR5, CXCR4, Fragments, Gp120, Homology modeling, linear discriminant analysis, Molecular docking, QSAR, quantitative contributions

Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M., Scotti M.T.

Current pharmaceutical design of antituberculosis drugs: Future perspectives

Abstract: The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldw

Palabras claves:

3D-QSAR methodologies, Enzymatic inhibitors, Graph-theoretical approaches, Ligand based-drug design, Structure based-drug design

Alejandro Speck-Planche, de Paulo-Emerenciano V., Scotti M.T.

Current tendencies in antimicrobial research: Medicinal chemistry of antibacterial agents and advances in the use of computational methodologies

Palabras claves:

Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M., Scotti M.T.

Design of novel antituberculosis compounds using graph-theoretical and substructural approaches

Abstract: The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldw

Palabras claves:

Antituberculosis, Discriminant analysis, Fragment contributions, Graph-theoretical descriptors, Massive screening

Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Pérez E., Scotti M.T., Uriarte E.

Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach

Abstract: Chagas disease is nowadays the most serious parasitic health problem. This disease is caused by Tryp

Palabras claves:

Antitrypanosomal, Discriminant analysis, Fragment contributions, Graph theoretical descriptors, Massive screening

Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Pérez E., Scotti M.T., Uriarte E.

Multi-target Drug Discovery via PTML Modeling: Applications to the Design of Virtual Dual Inhibitors of CDK4 and HER2

Abstract: 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 design

Alejandro Speck-Planche, Kleandrova V.V., Scotti L., Scotti M.T.

Nosocomial infections: An increasing challenge to medicinal chemistry

Palabras claves:

Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M., Scotti M.T.

In silico drug repurposing for anti-inflammatory therapy: Virtual search for dual inhibitors of caspase-1 and TNF-alpha

Abstract: Inflammation involves a complex biological response of the body tissues to damaging stimuli. When dy

Palabras claves:

Anti-Inflammatory, Caspase-1, covid-19, Cytokine storm, drug repurposing, MLP, QSAR, TNF-alpha, Virtual Screening

Alejandro Speck-Planche, Kleandrova V.V., Scotti M.T.

Indirect-Acting Pan-Antivirals vs. Respiratory Viruses: A Fresh Perspective on Computational Multi-Target Drug Discovery

Abstract: Respiratory viruses continue to afflict mankind. Among them, pathogens such as coronaviruses [includ

Palabras claves:

antiviral, Caspase-1, Coronaviruses, Indirect-acting pan-antiviral, influenza, multi-target, PTML, Sting, TLR7, TNF-α

Alejandro Speck-Planche, Kleandrova V.V., Scotti M.T.