Carlos Roca

Madrid, MD, Spain

Last Updated: 09/26/2026

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Found 14 publications

Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain.

Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain.

Journal: eLife
Published: September 09, 2024

Multitask Deep Neural Networks for Ames Mutagenicity Prediction.

Multitask Deep Neural Networks for Ames Mutagenicity Prediction.

Journal: Journal of chemical information and modeling
Published: September 06, 2022

AI in drug development: a multidisciplinary perspective.

AI in drug development: a multidisciplinary perspective.

Journal: Molecular diversity
Published: April 21, 2021

Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2016-2019).

Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2016-2019).

Journal: Expert opinion on therapeutic patents
Published: August 26, 2020

QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer's Disease.

QSAR Classification Models for Predicting the Activity of Inhibitors of Beta-Secretase (BACE1) Associated with Alzheimer's Disease.

Journal: Scientific reports
Published: January 31, 2019

Indazolylketones as new multitarget cannabinoid drugs.

Indazolylketones as new multitarget cannabinoid drugs.

Journal: European journal of medicinal chemistry
Published: October 24, 2018

Tau-Centric Multitarget Approach for Alzheimer's Disease: Development of First-in-Class Dual Glycogen Synthase Kinase 3β and Tau-Aggregation Inhibitors.

Tau-Centric Multitarget Approach for Alzheimer's Disease: Development of First-in-Class Dual Glycogen Synthase Kinase 3β and Tau-Aggregation Inhibitors.

Journal: Journal of medicinal chemistry
Published: August 07, 2018

Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.

Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.

Journal: Journal of medicinal chemistry
Published: July 03, 2018

Identification of new allosteric sites and modulators of AChE through computational and experimental tools.

Identification of new allosteric sites and modulators of AChE through computational and experimental tools.

Journal: Journal of enzyme inhibition and medicinal chemistry
Published: June 07, 2018

Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors.

Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors.

Journal: European journal of medicinal chemistry
Published: October 26, 2017

Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits.

Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits.

Journal: Journal of chemical information and modeling
Published: August 17, 2017

From dual binding site acetylcholinesterase inhibitors to allosteric modulators: A new avenue for disease-modifying drugs in Alzheimer's disease.

From dual binding site acetylcholinesterase inhibitors to allosteric modulators: A new avenue for disease-modifying drugs in Alzheimer's disease.

Journal: European journal of medicinal chemistry
Published: July 06, 2017
Showing 1-12 of 14

Last Updated: 09/26/2026