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Tailored Modeling of Rivastigmine Derivatives as Dual Acetylcholinesterase and Butyrylcholinesterase Inhibitors for Alzheimer's Disease Treatment.
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- Chemistry & Biodiversity, 2021, v. 18, n. 11, p. 1, doi. 10.1002/cbdv.202100361
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- Article
Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 24, p. 13259, doi. 10.3390/ijms222413259
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- Article
Design and Development of Cholinesterase Dual Inhibitors towards Alzheimer's Disease Treatment: A Focus on Recent Contributions from Computational and Theoretical Perspective.
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- ChemistrySelect, 2020, v. 5, n. 44, p. 14136, doi. 10.1002/slct.202003573
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- Article
Inhibition of Mycobacterium tuberculosis L,D‐Transpeptidase 5 by Carbapenems: MD and QM/MM Mechanistic Studies.
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- ChemistrySelect, 2018, v. 3, n. 48, p. 13603, doi. 10.1002/slct.201803184
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Mechanistic investigation of the uncatalyzed esterification reaction of acetic acid and acid halides with methanol: a DFT study.
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- Journal of Molecular Modeling, 2016, v. 22, n. 10, p. 1, doi. 10.1007/s00894-016-3084-z
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- Article
The Driving Force for the Acylation of β‐Lactam Antibiotics by L,D‐Transpeptidase 2: Quantum Mechanics/Molecular Mechanics (QM/MM) Study.
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- ChemPhysChem, 2019, v. 20, n. 9, p. 1126, doi. 10.1002/cphc.201900173
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- Article
Allostery Inhibition of BACE1 by Psychotic and Meroterpenoid Drugs in Alzheimer's Disease Therapy.
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- Molecules, 2022, v. 27, n. 14, p. N.PAG, doi. 10.3390/molecules27144372
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- Article
DFT study of the acid-catalyzed esterification reaction mechanism of methanol with carboxylic acid and its halide derivatives.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 4, p. n/a, doi. 10.1002/qua.25497
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- Article
Organocatalytic Trans Semireduction of Primary and Secondary Propiolamides: Substrate Scope and Mechanistic Studies.
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- Advanced Synthesis & Catalysis, 2022, v. 364, n. 1, p. 172, doi. 10.1002/adsc.202101020
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- Article
Influenza Viruses: Harnessing the Crucial Role of the M2 Ion-Channel and Neuraminidase toward Inhibitor Design.
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- Molecules, 2021, v. 26, n. 4, p. 880, doi. 10.3390/molecules26040880
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- Article
Understanding the Hsp90 N-Terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and Radicicol Derivative (NVP-YUA922).
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- Molecules, 2020, v. 25, n. 8, p. 1785, doi. 10.3390/molecules25081785
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- Article
Pharmacophore mapping of the crucial mediators of acetylcholinesterase and butyrylcholinesterase dual inhibition in Alzheimer's disease.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2761, doi. 10.1007/s11030-022-10377-w
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- Article
Ni<sup>2+</sup> and Cu<sup>2+</sup> complexes of N-(2,6-dichlorophenyl)-N-mesityl formamidine dithiocarbamate structural and functional properties as CYP3A4 potential substrates.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-39502-x
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- Article
Ni<sup>2+</sup> and Cu<sup>2+</sup> complexes of N-(2,6-dichlorophenyl)-N-mesityl formamidine dithiocarbamate structural and functional properties as CYP3A4 potential substrates.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-39502-x
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- Article