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Aniline-based inhibitors of influenza H1N1 virus acting on hemagglutinin-mediated fusion.

artículo científico publicado en 2017

Application of the quantum mechanical IEF/PCM-MST hydrophobic descriptors to selectivity in ligand binding

artículo científico publicado en 2016

Combined in Vitro Cell-Based/in Silico Screening of Naturally Occurring Flavonoids and Phenolic Compounds as Potential Anti-Alzheimer Drugs.

artículo científico publicado en 2017

Computational Sudy of the Aza-Michael Addition of the Flavonoid (+)-Taxifolin in Inhibition of β-Amyloid Fibril Aggregation.

artículo científico publicado en 2018

Design, synthesis and docking study of novel coumarin ligands as potential selective acetylcholinesterase inhibitors

artículo científico publicado en 2017

Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM-MST solvation models in 3D-QSAR.

artículo científico publicado en 2016

Exploiting the Tolerant Region I of the Non-Nucleoside Reverse Transcriptase Inhibitor (NNRTI) Binding Pocket: Discovery of Potent Diarylpyrimidine-Typed HIV-1 NNRTIs against Wild-Type and E138K Mutant Virus with Significantly Improved Water Solubili

artículo científico publicado en 2019

FADB: a food additive molecular database for in silico screening in food toxicology

artículo científico publicado en 2014

Identification of Dihydrofuro[3,4-d]pyrimidine Derivatives as Novel HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors with Promising Antiviral Activities and Desirable Physicochemical Properties

artículo científico publicado en 2019

Potential of aryl–urea–benzofuranylthiazoles hybrids as multitasking agents in Alzheimer's disease

artículo científico publicado en 2015

Preliminary hazard evaluation of androgen receptor-mediated endocrine-disrupting effects of thioxanthone metabolites through structure-based molecular docking

artículo científico publicado en 2014

Searching for effective antiviral small molecules against influenza A virus: A patent review

scientific article published on 05 October 2020