Documentos de Natalia Dias Soeiro Cordeiro M.

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Mostrando 10 resultados de: 10

Computational chemistry approach for the early detection of drug-induced idiosyncratic liver toxicity

Article

Abstract: Idiosyncratic drug toxicity (IDT), considered as a toxic host-dependent event, with an apparent lack

Palabras claves:

chemoinformatics, Computational pbkp_rediction, Drug development, Early Detection, Idiosyncratic hepatotoxicity, Quantitative structure-toxicity relationships

Autores:

Borges F., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M.

Fuentes:

scopus

Computational modeling tools for the design of potent antimalarial bisbenzamidines: Overcoming the antimalarial potential of pentamidine

Article

Abstract: Malaria is nowadays a worldwide and serious problem with a significant social, economic, and human c

Palabras claves:

Antimalarial, Bisbenzamidines, GETAWAY descriptors, QSAR

Autores:

Borges F., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Perez González M.

Fuentes:

scopus

Computer-aided discovery in antimicrobial research: In silico model for virtual screening of potent and safe anti-pseudomonas agents

Article

Abstract: Resistance of bacteria to current antibiotics is an alarming health problem. In this sense, Pseudomo

Palabras claves:

ADMET, antibacterial, Delafloxacin, linear discriminant analysis, Mtk-QSBER, Pseudomonas spp., TOMOCOMD

Autores:

Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.

Fuentes:

scopus

First Multitarget Chemo-Bioinformatic Model to Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens

Article

Abstract: Antimicrobial peptides (AMPs) have emerged as promising therapeutic alternatives to fight against th

Palabras claves:

Autores:

Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M., Ruso J.M.

Fuentes:

scopus

Evolution of graph theory-based QSAR methods and their applications to the search for new antibacterial agents

Article

Abstract: Resistance of bacteria to current antibiotics has increased worldwide, being one of the leading unre

Palabras claves:

Antibacterial activity, Graph-theoretical approach, Molecular fragment, Moving average approach, Multiplexing QSAR, Nosocomial infection, Topological descriptor

Autores:

Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.

Fuentes:

scopus

Multi-target QSAR approaches for modeling protein inhibitors. Simultaneous prediction of activities against biomacromolecules present in Gram-negative bacteria

Article

Abstract: Drug discovery is aimed at finding therapeutic agents for the treatment of many diverse diseases and

Palabras claves:

Amino acid sequence, inhibitor, Molecular fragment, Moving average approach, mt-QSAR, Physicochemical properties

Autores:

Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.

Fuentes:

scopus

New insights toward the discovery of antibacterial agents: Multi-tasking QSBER model for the simultaneous prediction of anti-tuberculosis activity and toxicological profiles of drugs

Article

Abstract: Tuberculosis (TB) constitutes one of the most dangerous and serious health problems around the world

Palabras claves:

In silico selection, Inhibitors, linear discriminant analysis, Mtk-QSBER, Mycobacterium tuberculosis, Spectral moments

Autores:

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

Fuentes:

scopus

Nosocomial infections: An increasing challenge to medicinal chemistry

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

Fuentes:

scopus

Silico discovery and virtual screening of multi-target inhibitors for proteins in mycobacterium tuberculosis

Article

Abstract: Mycobacterium tuberculosis (MTB) is the principal pathogen which causes tuberculosis (TB), a disease

Palabras claves:

Anti-TB activity, bioinformatics, chemoinformatics, Fragment contributions, Inhibitors, linear discriminant analysis, mt-QSAR, Protein sequence

Autores:

Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.

Fuentes:

scopus

Simultaneous virtual prediction of anti- escherichia coli activities and admet profiles: A chemoinformatic complementary approach for high-throughput screening

Article

Abstract: Escherichia coli remains one of the principal pathogens that cause nosocomial infections, medical co

Palabras claves:

ADMET, antibacterial, linear discriminant analysis, Mtk-QSBER, TOMOCOMD

Autores:

Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.

Fuentes:

scopus

Mostrando 10 resultados de: 10

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Palabras Claves

Computational chemistry approach for the early detection of drug-induced idiosyncratic liver toxicity

Computational modeling tools for the design of potent antimalarial bisbenzamidines: Overcoming the antimalarial potential of pentamidine

Computer-aided discovery in antimicrobial research: In silico model for virtual screening of potent and safe anti-pseudomonas agents

First Multitarget Chemo-Bioinformatic Model to Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens

Evolution of graph theory-based QSAR methods and their applications to the search for new antibacterial agents

Multi-target QSAR approaches for modeling protein inhibitors. Simultaneous prediction of activities against biomacromolecules present in Gram-negative bacteria

New insights toward the discovery of antibacterial agents: Multi-tasking QSBER model for the simultaneous prediction of anti-tuberculosis activity and toxicological profiles of drugs

Nosocomial infections: An increasing challenge to medicinal chemistry

Silico discovery and virtual screening of multi-target inhibitors for proteins in mycobacterium tuberculosis

Simultaneous virtual prediction of anti- escherichia coli activities and admet profiles: A chemoinformatic complementary approach for high-throughput screening