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Bioorganic and Medicinal Chemistry(2)
Current Drug Metabolism(2)
Current Topics in Medicinal Chemistry(2)
Anti-Cancer Agents in Medicinal Chemistry(1)
Combinatorial Chemistry and High Throughput Screening(1)
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scopus(14)
Chemoinformatics 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: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:scopusAbelson tyrosine-protein kinase 1 as principal target for drug discovery against leukemias role of the current computer-aided drug design methodologies
ArticleAbstract: The discovery of anti-cancer agents is an area which continues in accelerated expansion. Leukemias (Palabras claves:artificial neural networks, Fragments, In silico design, Inhibitors, Kinase, Leukemias, linear discriminant analysis, Molecular docking, QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Luan F., Natalia Dias Soeiro Cordeiro M.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:scopusDiscovery of Anti-Alzheimer agents: Current Ligand-Based approaches toward the design of acetylcholinesterase inhibitors
ArticleAbstract: Alzheimer's disease (AD) is a neurodegenerative disorder characterized by progressive dementia and lPalabras claves:3D-QSAR, AChE inhibitors, Fragments, linear discriminant analysis, QSARAutores:Alejandro Speck-Planche, Luan F., Natalia Dias Soeiro Cordeiro M.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:scopusMatrix trace operators: From spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes
ArticleAbstract: The study of quantitative structure-property relationships (QSPR) is important to study complex netwPalabras claves:Carbolithiations, Complex network, Drug ADME process, Markov chain, Organic synthesis, QSPR/QSAR model, Self-aggregation of drug micelle nanoparticles, Spectral moments and perturbation theoryAutores:Alejandro Speck-Planche, Arrasate S., González‐díaz H., Juan A.G.S., Lete E., Luan F., Natalia Dias Soeiro Cordeiro M., Ruso J.M., Sotomayor N.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:scopusQSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets
ReviewAbstract: The immune system helps to halt the infections caused by pathogenic microbial and parasitic agents.Palabras claves:CD19 lymphocytes, CHEMBL, complex networks, Drug immunotoxicity, Flow cytometry, Markov chains, perturbation theory, Spectral momentsAutores:Alejandro Speck-Planche, González‐díaz H., Luan F., Natalia Dias Soeiro Cordeiro M., Ramirez F.R., Tenorio-Borroto E.Fuentes:scopus