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Synthesis of Quinazolin‐2,4,6‐triamine Derivatives as Non‐purine Xanthine Oxidase Inhibitors and Exploration of Their Toxicological Potential

ChemMedChem, 2023-10, Vol.18 (20), p.e202300184-n/a

2023

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Toward the Characterization of DAPT Interactions with γ‐Secretase

ChemMedChem, 2019-05, Vol.14 (10), p.1005-1010

2019

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In Silico Characterization of Masitinib Interaction with SARS‐CoV‐2 Main Protease

ChemMedChem, 2021-08, Vol.16 (15), p.2339-2344

2021

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Identification and In Silico Characterization of Novel Helicobacter pylori Glucose-6-Phosphate Dehydrogenase Inhibitors

Molecules (Basel, Switzerland), 2021-08, Vol.26 (16), p.4955

2021

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Evaluation of New Benzimidazole Derivatives as Cysticidal Agents: In Vitro, in Vivo and Docking Studies

Chemical and Pharmaceutical Bulletin, 2019/12/01, Vol.67(12), pp.1293-1300

2019

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Design, Synthesis and Evaluation of 2,4‐Diaminoquinazoline Derivatives as Potential Tubulin Polymerization Inhibitors

ChemMedChem, 2020-10, Vol.15 (19), p.1802-1812

2020

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Linking Biochemical and Structural States of SERCA: Achievements, Challenges, and New Opportunities

International journal of molecular sciences, 2020-06, Vol.21 (11), p.4146

2020

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Atomistic Structure and Dynamics of the Ca2+-ATPase Bound to Phosphorylated Phospholamban

International journal of molecular sciences, 2020-10, Vol.21 (19), p.7261

2020

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Generation of Amyloid‐β Peptides by γ‐Secretase

Israel journal of chemistry, 2017-07, Vol.57 (7-8), p.574-585

2017

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Dwarf open reading frame (DWORF) is a direct activator of the sarcoplasmic reticulum calcium pump SERCA

eLife, 2021-06, Vol.10

2021

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Discovery of inhibitors of protein tyrosine phosphatase 1B contained in a natural products library from Mexican medicinal plants and fungi using a combination of enzymatic and in silico methods

Frontiers in pharmacology, 2023-10, Vol.14, p.1281045-1281045

2023

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Enhancing Giardicidal Activity and Aqueous Solubility through the Development of “RetroABZ”, a Regioisomer of Albendazole: In Vitro, In Vivo, and In Silico Studies

International journal of molecular sciences, 2023-10, Vol.24 (19), p.14949

2023

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Structure‐based approaches for the design of benzimidazole‐2‐carbamate derivatives as tubulin polymerization inhibitors

Chemical biology & drug design, 2017-07, Vol.90 (1), p.40-51

2017

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Kinetic and Molecular Docking Studies to Determine the Effect of Inhibitors on the Activity and Structure of Fused G6PD::6PGL Protein from Trichomonas vaginalis

Molecules (Basel, Switzerland), 2022-02, Vol.27 (4), p.1174

2022

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Effects of the Protonation State of Titratable Residues and the Presence of Water Molecules on Nocodazole Binding to β‐Tubulin

ChemMedChem, 2018-01, Vol.13 (1), p.20-24

2018

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Determination of nucleoside DOT1L inhibitors’ residence times by τRAMD simulations

Frontiers in drug discovery, 2023-01, Vol.2

2023

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Homologous cardiac calcium pump regulators phospholamban and sarcolipin adopt distinct oligomeric states in the membrane

Computational and structural biotechnology journal, 2022-01, Vol.20, p.380-384

2022

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Disruption of TFIIH activities generates a stress gene expression response and reveals possible new targets against cancer

Open biology, 2020-06, Vol.10 (6), p.200050

2020

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Progress in the Visualization and Mining of Chemical and Target Spaces

Molecular informatics, 2013-12, Vol.32 (11-12), p.942-953

2013

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A hallmark of phospholamban functional divergence is located in the N-terminal phosphorylation domain

Computational and structural biotechnology journal, 2020-01, Vol.18, p.705-713

2020

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Effects of Mutating Trp42 Residue on γD-Crystallin Stability

Journal of chemical information and modeling, 2020-02, Vol.60 (2), p.777-785

2020

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Simulating the γ-secretase enzyme: Recent advances and future directions

Biochimie, 2018-04, Vol.147, p.130-135

2018

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Synthesis, in vitro, in silico and in vivo hypoglycemic and lipid-lowering effects of 4-benzyloxy-5-benzylidene-1,3-thiazolidine-2,4-diones mediated by dual PPAR α/γ modulation

Bioorganic & medicinal chemistry letters, 2022-08, Vol.70, p.128804-128804, Article 128804

2022

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Unveiling the Possible Oryzalin-Binding Site in the α‑Tubulin of Toxoplasma gondii

ACS omega, 2022-06, Vol.7 (22), p.18434-18442

2022

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APH-1A Component of γ‑Secretase Forms an Internal Water and Ion-Containing Cavity

ACS chemical neuroscience, 2019-06, Vol.10 (6), p.2931-2938

2019

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Synthesis of Quinazolin‐2,4,6‐triamine Derivatives as Non‐purine Xanthine Oxidase Inhibitors and Exploration of Their Toxicological Potential

Toward the Characterization of DAPT Interactions with γ‐Secretase

In Silico Characterization of Masitinib Interaction with SARS‐CoV‐2 Main Protease

Identification and In Silico Characterization of Novel Helicobacter pylori Glucose-6-Phosphate Dehydrogenase Inhibitors

Evaluation of New Benzimidazole Derivatives as Cysticidal Agents: In Vitro, in Vivo and Docking Studies

Design, Synthesis and Evaluation of 2,4‐Diaminoquinazoline Derivatives as Potential Tubulin Polymerization Inhibitors

Linking Biochemical and Structural States of SERCA: Achievements, Challenges, and New Opportunities

Atomistic Structure and Dynamics of the Ca2+-ATPase Bound to Phosphorylated Phospholamban

Generation of Amyloid‐β Peptides by γ‐Secretase

Dwarf open reading frame (DWORF) is a direct activator of the sarcoplasmic reticulum calcium pump SERCA

Discovery of inhibitors of protein tyrosine phosphatase 1B contained in a natural products library from Mexican medicinal plants and fungi using a combination of enzymatic and in silico methods

Enhancing Giardicidal Activity and Aqueous Solubility through the Development of “RetroABZ”, a Regioisomer of Albendazole: In Vitro, In Vivo, and In Silico Studies

Structure‐based approaches for the design of benzimidazole‐2‐carbamate derivatives as tubulin polymerization inhibitors

Kinetic and Molecular Docking Studies to Determine the Effect of Inhibitors on the Activity and Structure of Fused G6PD::6PGL Protein from Trichomonas vaginalis

Effects of the Protonation State of Titratable Residues and the Presence of Water Molecules on Nocodazole Binding to β‐Tubulin

Determination of nucleoside DOT1L inhibitors’ residence times by τRAMD simulations

Homologous cardiac calcium pump regulators phospholamban and sarcolipin adopt distinct oligomeric states in the membrane

Disruption of TFIIH activities generates a stress gene expression response and reveals possible new targets against cancer

Progress in the Visualization and Mining of Chemical and Target Spaces

A hallmark of phospholamban functional divergence is located in the N-terminal phosphorylation domain

Effects of Mutating Trp42 Residue on γD-Crystallin Stability

Simulating the γ-secretase enzyme: Recent advances and future directions

Synthesis, in vitro, in silico and in vivo hypoglycemic and lipid-lowering effects of 4-benzyloxy-5-benzylidene-1,3-thiazolidine-2,4-diones mediated by dual PPAR α/γ modulation

Unveiling the Possible Oryzalin-Binding Site in the α‑Tubulin of Toxoplasma gondii

APH-1A Component of γ‑Secretase Forms an Internal Water and Ion-Containing Cavity

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