List of works - Xerardo Garcia-mera

1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships.

scientific article published on 5 April 2009

2-Substituted 4-, 5-, and 6-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]pyridazin-3(2H)-ones and 2-substituted 4,5-bis[(1E)-3-oxo-3-phenylprop-1-en-1-yl]pyridazin-3(2H)-ones as potent platelet aggregation inhibitors: design, synthesis, and SAR studies

scientific article published on 17 November 2007

2D MI-DRAGON: a new predictor for protein-ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins

scientific article published in October 2011

3D MI-DRAGON: new model for the reconstruction of US FDA drug- target network and theoretical-experimental studies of inhibitors of rasagiline derivatives for AChE.

scientific article published in January 2012

ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen.

scientific article

Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives.

scientific article published on 22 December 2015

Click chemistry approach to assembly proline mimetic libraries containing 1,4-substituted 1,2,3-triazoles

scientific article published on 30 April 2008

Design, Synthesis, and Evaluation of Antineoplastic Activity of Novel Carbocyclic Nucleosides

scientific article published on 05 March 2010

Development of Fluorescent Probes that Target Serotonin 5-HT2B Receptors

scientific article published on 7 September 2017

Discovery of 3,4-Dihydropyrimidin-2(1H)-ones As a Novel Class of Potent and Selective A2B Adenosine Receptor Antagonists

scientific article

Discovery of Potent and Highly Selective A2B Adenosine Receptor Antagonist Chemotypes

scientific article published on 09 February 2016

Divergent solution-phase synthesis of diarylpyrimidine libraries as selective A3 adenosine receptor antagonists

scientific article

Editorial [Hot Topic: QSAR Models for Computer-Aided Drug Design and Molecular Docking for Disorders of the Central Nervous System and Other Diseases] ⬇️

scientific article published on 01 January 2012

Enantiospecific Recognition at the A2B Adenosine Receptor by Alkyl 2-Cyanoimino-4-substituted-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylates

scientific article published on 3 April 2017

Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity.

scientific article published in January 2013

Experimental-Theoretic Approach to Drug-Lymphocyte Interactome Networks with Flow Cytometry and Spectral Moments Perturbation Theory

scientific article published on 5 August 2016

Highly efficient one-pot assembly of peptides by double chemoselective coupling

scientific article published on 01 September 2017

Immunotoxicity, Flow Cytometry, and Chemoinformatics: Review, Bibliometric Analysis, and New QSAR Model of Drug Effects Over Macrophages ⬇️

scientific article published on January 1, 2012

MIND-BEST: Web server for drugs and target discovery; design, synthesis, and assay of MAO-B inhibitors and theoretical-experimental study of G3PDH protein from Trichomonas gallinae.

scientific article

Methyl 2-diphenyl-phosphor-yloxy-2-aza-bicyclo-[2.2.1]hept-5-ene-3-exo-carboxyl-ate.

scientific article published on 20 December 2008

Model for high-throughput screening of drug immunotoxicity--study of the anti-microbial G1 over peritoneal macrophages using flow cytometry.

scientific article published on 22 November 2013

Model for high-throughput screening of multitarget drugs in chemical neurosciences: synthesis, assay, and theoretic study of rasagiline carbamates.

scientific article

Multi-Target Mining of Alzheimer Disease Proteome with Hansch's QSBR-Perturbation Theory and Experimental-Theoretic Study of New Thiophene Isosters of Rasagiline

scientific article

Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species

scientific article published on 6 February 2010

Multicomponent Assembly of the Kinesin Spindle Protein Inhibitor CPUYJ039 and Analogues as Antimitotic Agents.

scientific article

NL MIND-BEST: a web server for ligands and proteins discovery--theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum

scientific article

New carbocyclic nucleosides derived from indan

scientific article published in April 2001

New hexahydrocarbazoles and spiro indoles, and their affinity for D2 dopamine and 5-HT2A serotonin receptors

scientific article

Novel l-prolyl-l-leucylglycinamide (PLG) tripeptidomimetics based on a 2-azanorbornane scaffold as positive allosteric modulators of the D2R.

scientific article published on 10 November 2016

Patents of bio-active compounds based on computer-aided drug discovery techniques

scientific article published on January 2013

Perturbation Theory Machine Learning Modeling of Immunotoxicity for Drugs Targeting Inflammatory Cytokines and Study of the Antimicrobial G1 Using Cytometric Bead Arrays

scientific article published on 26 August 2019

Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l-Prolyl-l-leucyl-glycinamide Peptidomimetics

scientific article published on 25 June 2018

Prediction of multi-target networks of neuroprotective compounds with entropy indices and synthesis, assay, and theoretical study of new asymmetric 1,2-rasagiline carbamates

scientific article published on 24 September 2014

Probing the anticancer activity of nucleoside analogues: a QSAR model approach using an internally consistent training set.

scientific article published on 7 March 2007

Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists

scientific article published on 27 December 2010

Review of Synthesis, Assay, and Prediction of &beta; and &gamma;-secretase Inhibitors ⬇️

scientific article published on January 1, 2012

Review of Theoretical Models to Study Natural Products with Antiprotozoal Activity.

scientific article published on 22 December 2016

Review of synthesis, biological assay and QSAR studies of β-secretase inhibitors.

scientific article published on December 2011

Selective and potent adenosine A3 receptor antagonists by methoxyaryl substitution on the N-(2,6-diarylpyrimidin-4-yl)acetamide scaffold

scientific article

Structure-based design of new KSP-Eg5 inhibitors assisted by a targeted multicomponent reaction

scientific article

Synthesis and QSAR study of the anticancer activity of some novel indane carbocyclic nucleosides.

scientific article published on November 2003

Synthesis and allosteric modulation of the dopamine receptor by peptide analogs of L-prolyl-L-leucyl-glycinamide (PLG) modified in the L-proline or L-proline and L-leucine scaffolds.

scientific article

Synthesis and antiviral activity of carbocyclic nucleosides incorporating a modified cyclopentane ring. Part 3: Adenosine and uridine analogues

scientific article published on 01 October 1999

Synthesis and antiviral and antineoplastic activities of some novel carbocyclic guanosine analogues with a cyclobutane ring

scientific article published on 01 September 1999

Synthesis and antiviral and cytostatic activities of carbocyclic nucleosides incorporating a modified cyclobutane ring. Part 1: Guanosine analogues

scientific article published on 01 October 1999

Synthesis and pharmacological evaluation of novel 1,3,8- and 1,3,7,8-substituted xanthines as adenosine receptor antagonists

scientific article

Synthesis and pharmacological evaluation of novel 1- and 8-substituted-3-furfuryl xanthines as adenosine receptor antagonists

scientific article

Synthesis and pharmacological evaluation of novel substituted 9-deazaxanthines as A2B receptor antagonists

scientific article published on 12 March 2010

Synthesis by microwave-assisted 1,3-dipolar cycloaddition of 1,2,3-triazole 1'-homo-3'-isoazanucleosides and evaluation of their anticancer activity

scientific article published on 21 May 2015

Synthesis of novel purinyl-1'-homocarbanucleosides based on a cyclopenta[b]pyrazine system

scientific article published in May 2008

Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML)

scientific article published on 21 December 2020

Synthesis, Pharmacological, and Biological Evaluation of MIF-1 Picolinoyl Peptidomimetics as Positive Allosteric Modulators of D2R

scientific article published on 07 August 2019

Synthesis, antiviral and cytostatic activities of carbocyclic nucleosides incorporating a modified cyclopentane ring. Part 2: Adenosine and uridine analogues.

scientific article published on July 1998

TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases.

scientific article

Theoretical study of GSK-3α: neural networks QSAR studies for the design of new inhibitors using 2D descriptors

scientific article published on 7 July 2011

Trifluorinated Pyrimidine-Based A2B Antagonists: Optimization and Evidence of Stereospecific Recognition

scientific article published on 04 October 2019

Ugi-based approaches to quinoxaline libraries.

scientific article

Using entropy of drug and protein graphs to predict FDA drug-target network: theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica.

scientific article

List of works by Xerardo Garcia-mera

1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships.

2-Substituted 4-, 5-, and 6-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]pyridazin-3(2H)-ones and 2-substituted 4,5-bis[(1E)-3-oxo-3-phenylprop-1-en-1-yl]pyridazin-3(2H)-ones as potent platelet aggregation inhibitors: design, synthesis, and SAR studies

2D MI-DRAGON: a new predictor for protein-ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins

3D MI-DRAGON: new model for the reconstruction of US FDA drug- target network and theoretical-experimental studies of inhibitors of rasagiline derivatives for AChE.

ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen.

Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives.

Click chemistry approach to assembly proline mimetic libraries containing 1,4-substituted 1,2,3-triazoles

Design, Synthesis, and Evaluation of Antineoplastic Activity of Novel Carbocyclic Nucleosides

Development of Fluorescent Probes that Target Serotonin 5-HT2B Receptors

Discovery of 3,4-Dihydropyrimidin-2(1H)-ones As a Novel Class of Potent and Selective A2B Adenosine Receptor Antagonists

Discovery of Potent and Highly Selective A2B Adenosine Receptor Antagonist Chemotypes

Divergent solution-phase synthesis of diarylpyrimidine libraries as selective A3 adenosine receptor antagonists

Editorial [Hot Topic: QSAR Models for Computer-Aided Drug Design and Molecular Docking for Disorders of the Central Nervous System and Other Diseases] ⬇️

Enantiospecific Recognition at the A2B Adenosine Receptor by Alkyl 2-Cyanoimino-4-substituted-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylates

Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity.

Experimental-Theoretic Approach to Drug-Lymphocyte Interactome Networks with Flow Cytometry and Spectral Moments Perturbation Theory

Highly efficient one-pot assembly of peptides by double chemoselective coupling

Immunotoxicity, Flow Cytometry, and Chemoinformatics: Review, Bibliometric Analysis, and New QSAR Model of Drug Effects Over Macrophages ⬇️

MIND-BEST: Web server for drugs and target discovery; design, synthesis, and assay of MAO-B inhibitors and theoretical-experimental study of G3PDH protein from Trichomonas gallinae.

Methyl 2-diphenyl-phosphor-yloxy-2-aza-bicyclo-[2.2.1]hept-5-ene-3-exo-carboxyl-ate.

Model for high-throughput screening of drug immunotoxicity--study of the anti-microbial G1 over peritoneal macrophages using flow cytometry.

Model for high-throughput screening of multitarget drugs in chemical neurosciences: synthesis, assay, and theoretic study of rasagiline carbamates.

Multi-Target Mining of Alzheimer Disease Proteome with Hansch's QSBR-Perturbation Theory and Experimental-Theoretic Study of New Thiophene Isosters of Rasagiline

Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species

Multicomponent Assembly of the Kinesin Spindle Protein Inhibitor CPUYJ039 and Analogues as Antimitotic Agents.

NL MIND-BEST: a web server for ligands and proteins discovery--theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum

New carbocyclic nucleosides derived from indan

New hexahydrocarbazoles and spiro indoles, and their affinity for D2 dopamine and 5-HT2A serotonin receptors

Novel l-prolyl-l-leucylglycinamide (PLG) tripeptidomimetics based on a 2-azanorbornane scaffold as positive allosteric modulators of the D2R.

Patents of bio-active compounds based on computer-aided drug discovery techniques

Perturbation Theory Machine Learning Modeling of Immunotoxicity for Drugs Targeting Inflammatory Cytokines and Study of the Antimicrobial G1 Using Cytometric Bead Arrays

Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l-Prolyl-l-leucyl-glycinamide Peptidomimetics

Prediction of multi-target networks of neuroprotective compounds with entropy indices and synthesis, assay, and theoretical study of new asymmetric 1,2-rasagiline carbamates

Probing the anticancer activity of nucleoside analogues: a QSAR model approach using an internally consistent training set.

Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists

Review of Synthesis, Assay, and Prediction of &amp;beta; and &amp;gamma;-secretase Inhibitors ⬇️

Review of Theoretical Models to Study Natural Products with Antiprotozoal Activity.

Review of synthesis, biological assay and QSAR studies of β-secretase inhibitors.

Selective and potent adenosine A3 receptor antagonists by methoxyaryl substitution on the N-(2,6-diarylpyrimidin-4-yl)acetamide scaffold

Structure-based design of new KSP-Eg5 inhibitors assisted by a targeted multicomponent reaction

Synthesis and QSAR study of the anticancer activity of some novel indane carbocyclic nucleosides.

Synthesis and allosteric modulation of the dopamine receptor by peptide analogs of L-prolyl-L-leucyl-glycinamide (PLG) modified in the L-proline or L-proline and L-leucine scaffolds.

Synthesis and antiviral activity of carbocyclic nucleosides incorporating a modified cyclopentane ring. Part 3: Adenosine and uridine analogues

Synthesis and antiviral and antineoplastic activities of some novel carbocyclic guanosine analogues with a cyclobutane ring

Synthesis and antiviral and cytostatic activities of carbocyclic nucleosides incorporating a modified cyclobutane ring. Part 1: Guanosine analogues

Synthesis and pharmacological evaluation of novel 1,3,8- and 1,3,7,8-substituted xanthines as adenosine receptor antagonists

Synthesis and pharmacological evaluation of novel 1- and 8-substituted-3-furfuryl xanthines as adenosine receptor antagonists

Synthesis and pharmacological evaluation of novel substituted 9-deazaxanthines as A2B receptor antagonists

Synthesis by microwave-assisted 1,3-dipolar cycloaddition of 1,2,3-triazole 1'-homo-3'-isoazanucleosides and evaluation of their anticancer activity

Synthesis of novel purinyl-1'-homocarbanucleosides based on a cyclopenta[b]pyrazine system

Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML)

Synthesis, Pharmacological, and Biological Evaluation of MIF-1 Picolinoyl Peptidomimetics as Positive Allosteric Modulators of D2R

Synthesis, antiviral and cytostatic activities of carbocyclic nucleosides incorporating a modified cyclopentane ring. Part 2: Adenosine and uridine analogues.

TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases.

Theoretical study of GSK-3α: neural networks QSAR studies for the design of new inhibitors using 2D descriptors

Trifluorinated Pyrimidine-Based A2B Antagonists: Optimization and Evidence of Stereospecific Recognition

Ugi-based approaches to quinoxaline libraries.

Using entropy of drug and protein graphs to predict FDA drug-target network: theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica.

Review of Synthesis, Assay, and Prediction of β and γ-secretase Inhibitors ⬇️