List of works - Jordi Juárez-Jiménez

1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies

scientific article

A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors

A fluorogenic probe for granzyme B enables in-biopsy evaluation and screening of response to anticancer immunotherapies

scientific article published on 02 May 2022

Assessing the suitability of the multilevel strategy for the conformational analysis of small ligands

scientific article published on 29 October 2014

Blinded predictions of binding modes and energies of HSP90-α ligands for the 2015 D3R grand challenge.

scientific article published on 21 July 2016

Design, synthesis and biological evaluation of N-methyl-N-[(1,2,3-triazol-4-yl)alkyl]propargylamines as novel monoamine oxidase B inhibitors

scientific article published on 28 June 2016

Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease

scientific article published on 10 March 2022

Dual Effect of Prussian Blue Nanoparticles on Aβ40 Aggregation: β-Sheet Fibril Reduction and Copper Dyshomeostasis Regulation

scientific article published on 08 January 2021

Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A

scientific article

Easily accessible polycyclic amines that inhibit the wild-type and amantadine-resistant mutants of the M2 channel of influenza A virus

scientific article published on 30 June 2014

Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus

scientific article published on 05 April 2011

Exploring the structural basis of the selective inhibition of monoamine oxidase A by dicarbonitrile aminoheterocycles: role of Asn181 and Ile335 validated by spectroscopic and computational studies.

scientific article

Mechanism of the Pseudoirreversible Binding of Amantadine to the M2 Proton Channel

scientific article

New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode.

scientific article published on 14 April 2015

Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents.

scientific article

Synthesis, biological evaluation, and molecular modeling of donepezil and N-[(5-(benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine hybrids as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of [...]

scientific article

Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies.

scientific article

The complex of hypericin with β-lactoglobulin has antimicrobial activity with potential applications in dairy industry

scientific article published in January 2015

Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors.

scientific article

List of works by Jordi Juárez-Jiménez

1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies

A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors

A fluorogenic probe for granzyme B enables in-biopsy evaluation and screening of response to anticancer immunotherapies

Assessing the suitability of the multilevel strategy for the conformational analysis of small ligands

Blinded predictions of binding modes and energies of HSP90-α ligands for the 2015 D3R grand challenge.

Design, synthesis and biological evaluation of N-methyl-N-[(1,2,3-triazol-4-yl)alkyl]propargylamines as novel monoamine oxidase B inhibitors

Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease

Dual Effect of Prussian Blue Nanoparticles on Aβ40 Aggregation: β-Sheet Fibril Reduction and Copper Dyshomeostasis Regulation

Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A

Easily accessible polycyclic amines that inhibit the wild-type and amantadine-resistant mutants of the M2 channel of influenza A virus

Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus

Exploring the structural basis of the selective inhibition of monoamine oxidase A by dicarbonitrile aminoheterocycles: role of Asn181 and Ile335 validated by spectroscopic and computational studies.

Mechanism of the Pseudoirreversible Binding of Amantadine to the M2 Proton Channel

New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode.

Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents.

Synthesis, biological evaluation, and molecular modeling of donepezil and N-[(5-(benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine hybrids as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of [...]

Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies.

The complex of hypericin with β-lactoglobulin has antimicrobial activity with potential applications in dairy industry

Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors.