Lista de obras -

3D QSAR study of hypolipidemic asarones by comparative molecular surface analysis.

artículo científico publicado en 2005

A 4D-QSAR study on anti-HIV HEPT analogues

artículo científico publicado en 2005

A Comparison of SiO2-, Cu-, and Ni-supported Au nanoparticles for selective glycerol oxidation to acetic acid

A Study of Catalytic Oxidation of a Library of C₂ to C₄ Alcohols in the Presence of Nanogold

scientific article published on 15 March 2019

A comparative molecular surface analysis (COMSA). A new efficient technique for drug design

artículo científico publicado en 2002

A solid state and solution NMR study of the tautomerism in hydroxyquinoline carboxylic acids.

artículo científico publicado en 2008

A structure-taste study of arylsulfonyl(cyclo)alkanecarboxylic acids

artículo científico publicado en 2005

Analogues of the styrylquinoline and styrylquinazoline HIV-1 integrase inhibitors: design and synthetic problems.

artículo científico publicado en 2004

Anticancer activity of the thiosemicarbazones that are based on di-2-pyridine ketone and quinoline moiety

artículo científico publicado en 2019

Antifungal properties of new series of quinoline derivatives

artículo científico publicado en 2006

Between Descriptors and Properties: Understanding the Ligand Efficiency Trends for G Protein-Coupled Receptor and Kinase Structure-Activity Data Sets.

artículo científico publicado en 2017

Beware of ligand efficiency (LE): understanding LE data in modeling structure-activity and structure-economy relationships

artículo científico publicado en 2017

Bitter sweeteners: tetrazole derivatives of arylsulfonylalcanoids--synthesis, structure and comparative study.

artículo científico publicado en 2008

Catalytic Gas-Phase Glycerol Processing over SiO2-, Cu-, Ni- and Fe- Supported Au Nanoparticles

artículo científico publicado en 2015

Comparative molecular surface analysis (CoMSA) for modeling dye-fiber affinities of the azo and anthraquinone dyes

artículo científico publicado en 2003

Comparative molecular surface analysis (CoMSA) for virtual combinatorial library screening of styrylquinoline HIV-1 blocking agents

artículo científico publicado en 2006

Comparative molecular surface analysis: a novel tool for drug design and molecular diversity studies

artículo científico publicado en 2003

Contribution to investigation of antimicrobial activity of styrylquinolines

article

Contributor contact details

Does molecular docking reveal alternative chemopreventive mechanism of activation of oxidoreductase by sulforaphane isothiocyanates?

artículo científico publicado en 2009

Drug design using comparative molecular surface analysis

artículo científico publicado en 2006

Electrolytic copper as cheap and effective catalyst for one-pot triazole synthesis.

artículo científico publicado en 2018

Enhancing the CO2 capturing ability in leaf via xenobiotic auxin uptake

artículo científico publicado en 2020

Ethyl malonate amides: a diketo acid offspring fragment for HIV integrase inhibition

artículo científico publicado en 2011

Exploring the anti-cancer activity of novel thiosemicarbazones generated through the combination of retro-fragments: dissection of critical structure-activity relationships

artículo científico publicado en 2014

Functional and Material Properties in Nanocatalyst Design: A Data Handling and Sharing Problem ⬇️

artículo científico

GRID formalism for the comparative molecular surface analysis: application to the CoMFA benchmark steroids, azo dyes, and HEPT derivatives

scientific article published on 01 July 2004

Impact of thiosemicarbazones on the accumulation of PpIX and the expression of the associated genes

artículo científico publicado en 2019

Intermolecular interactions in the crystal structures of potential HIV-1 integrase inhibitors

artículo científico publicado en 2005

Investigating biological activity spectrum for novel quinoline analogues

artículo científico publicado en 2006

Investigating biological activity spectrum for novel quinoline analogues 2: hydroxyquinolinecarboxamides with photosynthesis-inhibiting activity

artículo científico publicado en 2008

Investigating biological activity spectrum for novel styrylquinazoline analogues.

artículo científico publicado en 2009

Investigating the activity spectrum for ring-substituted 8-hydroxyquinolines.

artículo científico publicado en 2010

Investigating the anti-proliferative activity of styrylazanaphthalenes and azanaphthalenediones

artículo científico publicado en 2010

Investigation of the biological properties of (hetero)aromatic thiosemicarbazones.

artículo científico publicado en 2012

Iron Chelators and Exogenic Photosensitizers. Synergy through Oxidative Stress Gene Expression.

artículo científico publicado en 2017

Iron chelators in photodynamic therapy revisited: synergistic effect by novel highly active thiosemicarbazones

artículo científico publicado en 2014

Ligand Potency, Efficiency and Drug-likeness: A Story of Intuition, Misinterpretation and Serendipity

artículo científico publicado en 2019

Ligand potency - an essential estimator for drug design: between intuition, misinterpretation and serendipity

scientific article published on 15 July 2019

Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes

artículo científico publicado en 2015

Mapping fragmental drug-likeness in the MoStBioDat environment: intramolecular hydrogen bonding motifs in β-ketoenols.

artículo científico publicado en 2011

MoStBioDat--molecular and structural bioinformatics database.

artículo científico

Modeling robust QSAR 3: SOM-4D-QSAR with iterative variable elimination IVE-PLS: application to steroid, azo dye, and benzoic acid series

scientific article published on 14 June 2007

Modeling robust QSAR.

artículo científico publicado en 2006

Modeling robust QSAR. 1. Coding molecules in 3D-QSAR--from a point to surface sectors and molecular volumes

artículo científico publicado en 2005

Modeling robust QSAR. 2. iterative variable elimination schemes for CoMSA: application for modeling benzoic acid pKa values

scientific article published on 01 March 2007

Modeling steric and electronic effects in 3D- and 4D-QSAR schemes: predicting benzoic pK(a) values and steroid CBG binding affinities

artículo científico publicado en 2003

Molecular descriptor data explain market prices of a large commercial chemical compound library

artículo científico publicado en 2016

Ni-Supported Pd Nanoparticles with Ca Promoter: A New Catalyst for Low-Temperature Ammonia Cracking

artículo científico publicado en 2015

Novel Benzene-Based Carbamates for AChE/BChE Inhibition: Synthesis and Ligand/Structure-Oriented SAR Study ⬇️

artículo científico publicado en 2019

Oxide passivated Ni-supported Ru nanoparticles in silica: A new catalyst for low-temperature carbon dioxide methanation

scholarly article by Jaroslaw Polanski et al published June 2017 in Applied Catalysis B: Environmental

Polarimetric detection in HPLC of R(-)-naproxen: features and intrinsic weakness.

artículo científico publicado en 2012

Privileged structures - dream or reality: preferential organization of azanaphthalene scaffold.

artículo científico publicado en 2012

Probability issues in molecular design: predictive and modeling ability in 3D-QSAR schemes.

artículo científico publicado en 2004

Probing a chemical space for fragmental topology-activity landscapes (FRAGTAL): application for diketo acid and catechol HIV integrase inhibitor offspring fragments

artículo científico publicado en 2013

Probing an artificial polypeptide receptor library using a series of novel histamine H3 receptor ligands

artículo científico publicado en 2014

Prodrugs in photodynamic anticancer therapy.

artículo científico

Raltegravir flexibility and its impact on recognition by the HIV-1 IN targets

artículo científico publicado en 2013

Receptor dependent multidimensional QSAR for modeling drug--receptor interactions

scientific article published on September 2009

Receptor independent and receptor dependent CoMSA modeling with IVE-PLS: application to CBG benchmark steroids and reductase activators

artículo científico publicado en 2008

Ring-substituted 4-hydroxy-1H-quinolin-2-ones: preparation and biological activity

artículo científico publicado en 2009

Self-organizing neural networks for modeling robust 3D and 4D QSAR: application to dihydrofolate reductase inhibitors.

artículo científico publicado en 2004

Self-organizing neural networks for pharmacophore mapping

artículo científico publicado en 2003

Self-organizing neural networks for screening and development of novel artificial sweetener candidates

artículo científico publicado en 2000

Stable gold nanoparticles - synthesis, bioconjugation and application

artículo científico publicado en 2014

Structure-based modeling of dye-fiber affinity with SOM-4D-QSAR paradigm: application to set of anthraquinone derivatives

artículo científico publicado en 2014

Synthesis and characterization of quinoline-based thiosemicarbazones and correlation of cellular iron-binding efficacy to anti-tumor efficacy

artículo científico publicado en 2012

Synthesis of New Styrylquinoline Cellular Dyes, Fluorescent Properties, Cellular Localization and Cytotoxic Behavior

artículo científico publicado en 2015

Synthesis of quinoline derivatives using a nano-Pd/Cu catalyst in the search of new fluorophores

artículo científico publicado en 2014

The Eighth Central European Conference "Chemistry towards Biology": Snapshot

artículo científico publicado en 2016

The Forty-Sixth Euro Congress on Drug Synthesis and Analysis: Snapshot †.

artículo científico publicado en 2017

The analysis of the market success of FDA approvals by probing top 100 bestselling drugs.

artículo científico publicado en 2016

The comparative molecular surface analysis (COMSA)--a nongrid 3D QSAR method by a coupled neural network and PLS system: predicting pK(a) values of benzoic and alkanoic acids

artículo científico publicado en 2002

The role of oxidative stress in activity of anticancer thiosemicarbazones.

artículo científico publicado en 2018

The use of MoStBioDat for rapid screening of molecular diversity

artículo científico publicado en 2009

Top 100 bestselling drugs represent an arena struggling for new FDA approvals: drug age as an efficiency indicator

artículo científico publicado en 2015

Use of the Kohonen neural network for rapid screening of ex vivo anti-HIV activity of styrylquinolines

artículo científico publicado en 2002

X-ray and molecular modelling in fragment-based design of three small quinoline scaffolds for HIV integrase inhibitors

artículo científico publicado en 2011

Lista de obras de

3D QSAR study of hypolipidemic asarones by comparative molecular surface analysis.

A 4D-QSAR study on anti-HIV HEPT analogues

A Comparison of SiO2-, Cu-, and Ni-supported Au nanoparticles for selective glycerol oxidation to acetic acid

A Study of Catalytic Oxidation of a Library of C₂ to C₄ Alcohols in the Presence of Nanogold

A comparative molecular surface analysis (COMSA). A new efficient technique for drug design

A solid state and solution NMR study of the tautomerism in hydroxyquinoline carboxylic acids.

A structure-taste study of arylsulfonyl(cyclo)alkanecarboxylic acids

Analogues of the styrylquinoline and styrylquinazoline HIV-1 integrase inhibitors: design and synthetic problems.

Anticancer activity of the thiosemicarbazones that are based on di-2-pyridine ketone and quinoline moiety

Antifungal properties of new series of quinoline derivatives

Between Descriptors and Properties: Understanding the Ligand Efficiency Trends for G Protein-Coupled Receptor and Kinase Structure-Activity Data Sets.

Beware of ligand efficiency (LE): understanding LE data in modeling structure-activity and structure-economy relationships

Bitter sweeteners: tetrazole derivatives of arylsulfonylalcanoids--synthesis, structure and comparative study.

Catalytic Gas-Phase Glycerol Processing over SiO2-, Cu-, Ni- and Fe- Supported Au Nanoparticles

Comparative molecular surface analysis (CoMSA) for modeling dye-fiber affinities of the azo and anthraquinone dyes

Comparative molecular surface analysis (CoMSA) for virtual combinatorial library screening of styrylquinoline HIV-1 blocking agents

Comparative molecular surface analysis: a novel tool for drug design and molecular diversity studies

Contribution to investigation of antimicrobial activity of styrylquinolines

Contributor contact details

Does molecular docking reveal alternative chemopreventive mechanism of activation of oxidoreductase by sulforaphane isothiocyanates?

Drug design using comparative molecular surface analysis

Electrolytic copper as cheap and effective catalyst for one-pot triazole synthesis.

Enhancing the CO2 capturing ability in leaf via xenobiotic auxin uptake

Ethyl malonate amides: a diketo acid offspring fragment for HIV integrase inhibition

Exploring the anti-cancer activity of novel thiosemicarbazones generated through the combination of retro-fragments: dissection of critical structure-activity relationships

Functional and Material Properties in Nanocatalyst Design: A Data Handling and Sharing Problem ⬇️

GRID formalism for the comparative molecular surface analysis: application to the CoMFA benchmark steroids, azo dyes, and HEPT derivatives

Impact of thiosemicarbazones on the accumulation of PpIX and the expression of the associated genes

Intermolecular interactions in the crystal structures of potential HIV-1 integrase inhibitors

Investigating biological activity spectrum for novel quinoline analogues

Investigating biological activity spectrum for novel quinoline analogues 2: hydroxyquinolinecarboxamides with photosynthesis-inhibiting activity

Investigating biological activity spectrum for novel styrylquinazoline analogues.

Investigating the activity spectrum for ring-substituted 8-hydroxyquinolines.

Investigating the anti-proliferative activity of styrylazanaphthalenes and azanaphthalenediones

Investigation of the biological properties of (hetero)aromatic thiosemicarbazones.

Iron Chelators and Exogenic Photosensitizers. Synergy through Oxidative Stress Gene Expression.

Iron chelators in photodynamic therapy revisited: synergistic effect by novel highly active thiosemicarbazones

Ligand Potency, Efficiency and Drug-likeness: A Story of Intuition, Misinterpretation and Serendipity

Ligand potency - an essential estimator for drug design: between intuition, misinterpretation and serendipity

Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes

Mapping fragmental drug-likeness in the MoStBioDat environment: intramolecular hydrogen bonding motifs in β-ketoenols.

MoStBioDat--molecular and structural bioinformatics database.

Modeling robust QSAR 3: SOM-4D-QSAR with iterative variable elimination IVE-PLS: application to steroid, azo dye, and benzoic acid series

Modeling robust QSAR.

Modeling robust QSAR. 1. Coding molecules in 3D-QSAR--from a point to surface sectors and molecular volumes

Modeling robust QSAR. 2. iterative variable elimination schemes for CoMSA: application for modeling benzoic acid pKa values

Modeling steric and electronic effects in 3D- and 4D-QSAR schemes: predicting benzoic pK(a) values and steroid CBG binding affinities

Molecular descriptor data explain market prices of a large commercial chemical compound library

Ni-Supported Pd Nanoparticles with Ca Promoter: A New Catalyst for Low-Temperature Ammonia Cracking

Novel Benzene-Based Carbamates for AChE/BChE Inhibition: Synthesis and Ligand/Structure-Oriented SAR Study ⬇️

Oxide passivated Ni-supported Ru nanoparticles in silica: A new catalyst for low-temperature carbon dioxide methanation

Polarimetric detection in HPLC of R(-)-naproxen: features and intrinsic weakness.

Privileged structures - dream or reality: preferential organization of azanaphthalene scaffold.

Probability issues in molecular design: predictive and modeling ability in 3D-QSAR schemes.

Probing a chemical space for fragmental topology-activity landscapes (FRAGTAL): application for diketo acid and catechol HIV integrase inhibitor offspring fragments

Probing an artificial polypeptide receptor library using a series of novel histamine H3 receptor ligands

Prodrugs in photodynamic anticancer therapy.

Raltegravir flexibility and its impact on recognition by the HIV-1 IN targets

Receptor dependent multidimensional QSAR for modeling drug--receptor interactions

Receptor independent and receptor dependent CoMSA modeling with IVE-PLS: application to CBG benchmark steroids and reductase activators

Ring-substituted 4-hydroxy-1H-quinolin-2-ones: preparation and biological activity

Self-organizing neural networks for modeling robust 3D and 4D QSAR: application to dihydrofolate reductase inhibitors.

Self-organizing neural networks for pharmacophore mapping

Self-organizing neural networks for screening and development of novel artificial sweetener candidates

Stable gold nanoparticles - synthesis, bioconjugation and application

Structure-based modeling of dye-fiber affinity with SOM-4D-QSAR paradigm: application to set of anthraquinone derivatives

Synthesis and characterization of quinoline-based thiosemicarbazones and correlation of cellular iron-binding efficacy to anti-tumor efficacy

Synthesis of New Styrylquinoline Cellular Dyes, Fluorescent Properties, Cellular Localization and Cytotoxic Behavior

Synthesis of quinoline derivatives using a nano-Pd/Cu catalyst in the search of new fluorophores

The Eighth Central European Conference "Chemistry towards Biology": Snapshot

The Forty-Sixth Euro Congress on Drug Synthesis and Analysis: Snapshot †.

The analysis of the market success of FDA approvals by probing top 100 bestselling drugs.

The comparative molecular surface analysis (COMSA)--a nongrid 3D QSAR method by a coupled neural network and PLS system: predicting pK(a) values of benzoic and alkanoic acids

The role of oxidative stress in activity of anticancer thiosemicarbazones.

The use of MoStBioDat for rapid screening of molecular diversity

Top 100 bestselling drugs represent an arena struggling for new FDA approvals: drug age as an efficiency indicator

Use of the Kohonen neural network for rapid screening of ex vivo anti-HIV activity of styrylquinolines

X-ray and molecular modelling in fragment-based design of three small quinoline scaffolds for HIV integrase inhibitors