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In Silico Design of an Oseltamivir Derivative with Increased Affinity against Wild‐Type and Mutant Variants of Neuraminidase and Hemagglutinin of Influenza A H1N1 Virus

Chemistry & biodiversity, 2023-07, Vol.20 (7), p.e202201077-n/a

2023

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GPER binding site detection and description: A flavonoid-based docking and molecular dynamics simulations study

The Journal of steroid biochemistry and molecular biology, 2024-05, Vol.239, p.106474, Article 106474

2024

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In silico design and cell-based evaluation of two dual anti breast cancer compounds targeting Bcl-2 and GPER

Scientific reports, 2023-10, Vol.13 (1), p.17933-17933, Article 17933

2023

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Modifications on the Tetrahydroquinoline Scaffold Targeting a Phenylalanine Cluster on GPER as Antiproliferative Compounds against Renal, Liver and Pancreatic Cancer Cells

Pharmaceuticals (Basel, Switzerland), 2021-01, Vol.14 (1), p.49

2021

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Selection of a GPER1 Ligand via Ligand-based Virtual Screening Coupled to Molecular Dynamics Simulations and Its Anti-proliferative Effects on Breast Cancer Cells

Anti-cancer agents in medicinal chemistry, 2018-01, Vol.18 (11), p.1629-1638

2018

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Docking and QSAR Studies of Aryl-valproic Acid Derivatives to Identify Antiproliferative Agents Targeting the HDAC8

Anti-cancer agents in medicinal chemistry, 2017, Vol.17 (7), p.927

2017

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Three amino acid derivatives of valproic acid: design, synthesis, theoretical and experimental evaluation as anticancer agents

Anti-cancer agents in medicinal chemistry, 2014-01, Vol.14 (7), p.984-993

2014

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N-(2-hydroxyphenyl)-2-propylpentanamide, a valproic acid aryl derivative designed in silico with improved anti-proliferative activity in HeLa, rhabdomyosarcoma and breast cancer cells

Journal of enzyme inhibition and medicinal chemistry, 2016-11, Vol.31 (sup3), p.140-149

2016

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Synthesis and In Vitro Evaluation of Tetrahydroquinoline Derivatives as Antiproliferative Compounds of Breast Cancer via Targeting the GPER

Anti-cancer agents in medicinal chemistry, 2019, Vol.19 (6), p.760-771

2019

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Design, in silico studies, synthesis and in vitro evaluation of oseltamivir derivatives as inhibitors of neuraminidase from influenza A virus H1N1

European journal of medicinal chemistry, 2017-03, Vol.128, p.154-167

2017

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Understanding the molecular basis of agonist/antagonist mechanism of GPER1/GPR30 through structural and energetic analyses

The Journal of steroid biochemistry and molecular biology, 2016-04, Vol.158, p.104-116

2016

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Aromatic Regions Govern the Recognition of NADPH Oxidase Inhibitors as Diapocynin and its Analogues

Archiv der Pharmazie (Weinheim), 2017-10, Vol.350 (10), p.n/a

2017

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Structural insight into the binding mechanism of ATP to EGFR and L858R, and T790M and L858R/T790 mutants

Journal of biomolecular structure & dynamics, 2019-11, Vol.37 (17), p.4671-4684

2019

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Structural and energetic basis for novel epicatechin derivatives acting as GPER agonists through the MMGBSA method

The Journal of steroid biochemistry and molecular biology, 2019-05, Vol.189, p.176-186

2019

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The effects of (−)-epicatechin on endothelial cells involve the G protein-coupled estrogen receptor (GPER)

Pharmacological research, 2015-10, Vol.100, p.309-320

2015

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Targeting Several Biologically Reported Targets of Glioblastoma Multiforme by Assaying 2D and 3D Cultured Cells

Cellular and molecular neurobiology, 2022-08, Vol.42 (6), p.1909-1920

2022

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Antiprotozoal Activities of Tiliroside and other Compounds from Sphaeralcea angustifolia (Cav.) G. Don

Pharmacognosy research, 2017-04, Vol.9 (2), p.133-137

2017

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Antiprotozoal constituents from Annona cherimola Miller, a plant used in mexican traditional medicine for the treatment of diarrhea and dysentery

Pharmacognosy Magazine, 2017-01, Vol.13 (49), p.148-152

2017

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SYNTHESIS, CHEMICAL IDENTIFICATION, DRUG RELEASE AND DOCKING STUDIES OF THE AMLODIPINE-CHITOSAN NANOBIOPOLYMER COMPOSITE

Journal of the Chilean Chemical Society, 2021-01, Vol.66 (1), p.5063-5066

2021

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Antihyperglycemic Activity of the Leaves from Annona cherimola Miller and Rutin on Alloxan-induced Diabetic Rats

Pharmacognosy research, 2017-01, Vol.9 (1), p.1-6

2017

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Clinical and epidemiological characteristics of COVID-19 in children: experience in two hospitals

Boletin medico del Hospital Infantil de Mexico, 2021, Vol.78 (6), p.506

2021

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Clinical and epidemiological characteristics of COVID-19 in children: experience in two hospitals

Boletín médico del Hospital Infantil de México (Spanish edition), 2021-12, Vol.78 (6)

2021

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Medicina Integrativa

Rakel, David

2008

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Analysis of Mechanical Behavior of the Underlying Soft Tissue to Ischial Tuberosities Using Finite Element Method

Proceedings of the 17th International Conference on New Trends in Fatigue and Fracture, 2017, p.67-73

2017

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In Silico Design of an Oseltamivir Derivative with Increased Affinity against Wild‐Type and Mutant Variants of Neuraminidase and Hemagglutinin of Influenza A H1N1 Virus

GPER binding site detection and description: A flavonoid-based docking and molecular dynamics simulations study

In silico design and cell-based evaluation of two dual anti breast cancer compounds targeting Bcl-2 and GPER

Modifications on the Tetrahydroquinoline Scaffold Targeting a Phenylalanine Cluster on GPER as Antiproliferative Compounds against Renal, Liver and Pancreatic Cancer Cells

Selection of a GPER1 Ligand via Ligand-based Virtual Screening Coupled to Molecular Dynamics Simulations and Its Anti-proliferative Effects on Breast Cancer Cells

Docking and QSAR Studies of Aryl-valproic Acid Derivatives to Identify Antiproliferative Agents Targeting the HDAC8

Three amino acid derivatives of valproic acid: design, synthesis, theoretical and experimental evaluation as anticancer agents

N-(2-hydroxyphenyl)-2-propylpentanamide, a valproic acid aryl derivative designed in silico with improved anti-proliferative activity in HeLa, rhabdomyosarcoma and breast cancer cells

Synthesis and In Vitro Evaluation of Tetrahydroquinoline Derivatives as Antiproliferative Compounds of Breast Cancer via Targeting the GPER

Design, in silico studies, synthesis and in vitro evaluation of oseltamivir derivatives as inhibitors of neuraminidase from influenza A virus H1N1

Understanding the molecular basis of agonist/antagonist mechanism of GPER1/GPR30 through structural and energetic analyses

Aromatic Regions Govern the Recognition of NADPH Oxidase Inhibitors as Diapocynin and its Analogues

Structural insight into the binding mechanism of ATP to EGFR and L858R, and T790M and L858R/T790 mutants

Structural and energetic basis for novel epicatechin derivatives acting as GPER agonists through the MMGBSA method

The effects of (−)-epicatechin on endothelial cells involve the G protein-coupled estrogen receptor (GPER)

Targeting Several Biologically Reported Targets of Glioblastoma Multiforme by Assaying 2D and 3D Cultured Cells

Antiprotozoal Activities of Tiliroside and other Compounds from Sphaeralcea angustifolia (Cav.) G. Don

Antiprotozoal constituents from Annona cherimola Miller, a plant used in mexican traditional medicine for the treatment of diarrhea and dysentery

SYNTHESIS, CHEMICAL IDENTIFICATION, DRUG RELEASE AND DOCKING STUDIES OF THE AMLODIPINE-CHITOSAN NANOBIOPOLYMER COMPOSITE

Antihyperglycemic Activity of the Leaves from Annona cherimola Miller and Rutin on Alloxan-induced Diabetic Rats

Clinical and epidemiological characteristics of COVID-19 in children: experience in two hospitals

Clinical and epidemiological characteristics of COVID-19 in children: experience in two hospitals

Medicina Integrativa

Analysis of Mechanical Behavior of the Underlying Soft Tissue to Ischial Tuberosities Using Finite Element Method

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