Lista de obras - Jahan Bakhsh Ghasemi - Dominio Público Uruguay

2D Quantitative structure-property relationship study of mycotoxins by multiple linear regression and support vector machine

artículo científico publicado en 2010

3D QSAR studies, pharmacophore modeling, and virtual screening of diarylpyrazole-benzenesulfonamide derivatives as a template to obtain new inhibitors, using human carbonic anhydrase II as a model protein.

artículo científico publicado en 2017

3D-QSAR analysis of human immunodeficiency virus entry-1 inhibitors by CoMFA and CoMSIA.

artículo científico publicado en 2010

3D-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches

artículo científico publicado en 2014

4D-LQTA-QSAR and docking study on potent Gram-negative specific LpxC inhibitors: a comparison to CoMFA modeling

artículo científico publicado en 2011

A QSPR study on the GC retention times of a series of fatty, dicarboxylic and amino acids by MLR and ANN

artículo científico publicado en 2007

A detailed structural study of cytotoxicity effect of ionic liquids on the leukemia rat cell line IPC-81 by three dimensional quantitative structure toxicity relationship

artículo científico publicado en 2018

A new algorithm for the determination of protolytic constants from spectrophotometric data in multiwavelength mode: Calculations of acidity constants of 4-(2-pyridylazo)resorcinol (PAR) in mixed nonaqueous-water solvents

artículo científico publicado en 2005

A new polymerizable fluorescent PET chemosensor of fluoride (F-) based on naphthalimide-thiourea dye.

artículo científico publicado en 2012

A potentiometeric study of protonation and complex formation of xylenol orange with alkaline earth and aluminum ions

artículo científico publicado en 1998

A quantitative structure property relationship for prediction of solubilization of hazardous compounds using GA-based MLR in CTAB micellar media

artículo científico publicado en 2008

A quantitative structure- property relationship of gas chromatographic/mass spectrometric retention data of 85 volatile organic compounds as air pollutant materials by multivariate methods.

artículo científico publicado en 2012

A rapid, automated gradient flow injection-spectrophotometric technique for study of metal complexation reactions

artículo científico publicado en 2014

Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs.

artículo científico publicado en 2015

An ultrasensitive fluorescence sensor for determination of trace levels of copper in blood samples

artículo científico publicado en 2019

Application of Multivariate Linear and Nonlinear Calibration and Classification Methods in Drug Design

artículo científico

Application of genetic algorithm and multivariate methods in detection and measurement of milk-surfactant adulteration by attenuated total reflection and near-infrared spectroscopy

artículo científico publicado en 2020

Application of multivariate optimization procedures for preconcentration and determination of Au(III) and Pt(IV) in aqueous samples with graphene oxide by X-ray fluorescence spectrometry.

artículo científico publicado en 2015

Characterization of the interaction of glycyrrhizin and glycyrrhetinic acid with bovine serum albumin by spectrophotometric-gradient flow injection titration technique and molecular modeling simulations.

artículo científico publicado en 2017

Chemometric analysis of comprehensive two dimensional gas chromatography-mass spectrometry metabolomics data.

artículo científico publicado en 2017

Combating Diseases with Computational Strategies Used for Drug Design and Discovery

artículo científico publicado en 2018

Combination of genetic algorithm and partial least squares for cloud point prediction of nonionic surfactants from molecular structures

artículo científico publicado en 2007

Combined docking, molecular dynamics simulations and spectroscopic studies for the rational design of a dipeptide ligand for affinity chromatography separation of human serum albumin.

artículo científico publicado en 2014

Comparative molecular field analysis and comparative molecular similarity index analysis studies on 1H NMR chemical shift of NH group of diaryl triazene derivatives

artículo científico publicado en 2013

Computer-aided scaffold hopping to identify a novel series of casein kinase 1 delta (CK1d) inhibitors for amyotrophic lateral sclerosis.

artículo científico publicado en 2015

Conductometric simultaneous determination of acetic acid, monochloroacetic acid and trichloroacetic acid using orthogonal signal correction-partial least squares

artículo científico publicado en 2005

Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery

scientific article published on 08 November 2019

Design and Synthesis of Novel Cytotoxic Indole-Thiosemicarbazone Derivatives: Biological Evaluation and Docking Study

artículo científico publicado en 2019

Design and synthesis of novel pyrazole-phenyl semicarbazone derivatives as potential α-glucosidase inhibitor: Kinetics and molecular dynamics simulation study

artículo científico publicado en 2020

Developing a highly selective method for preconcentration and determination of cobalt in water and nut samples using 1-(2-pyridylazo)-2-naphthol and UV-visible spectroscopy

artículo científico publicado en 2020

Development of a model to predict partition coefficient of organic pollutants in cloud point extraction process

artículo científico publicado en 2006

Discovery of new potential antimalarial compounds using virtual screening of ZINC database.

artículo científico publicado en 2015

Docking of Natural Products against Neurodegenerative Diseases: General Concepts.

artículo científico publicado en 2018

Docking, CoMFA and CoMSIA studies of a series of sulfonamides derivatives as carbonic anhydrase I inhibitors

artículo científico publicado en 2011

Dual-acting of Hybrid Compounds - A New Dawn in the Discovery of Multi-target Drugs: Lead Generation Approaches.

artículo científico publicado en 2016

Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors

artículo científico publicado en 2018

Editorial: In Silico Methodologies Applied to Drug Discovery

artículo científico publicado en 2018

Enhanced visible-light-driven photocatalysis of in-situ reduced of bismuth on BiOCl nanosheets and montmorillonite loading: Synergistic effect and mechanism insight

artículo científico publicado en 2022

Experimental and theoretical investigation effect of flavonols antioxidants on DNA damage.

artículo científico publicado en 2015

Experimental, computational and chemometrics studies of BSA-vitamin B6 interaction by UV-Vis, FT-IR, fluorescence spectroscopy, molecular dynamics simulation and hard-soft modeling methods

artículo científico publicado en 2016

Exploring 3D-QSPR models of human skin permeability for a diverse dataset of chemical compounds

artículo científico publicado en 2019

Extraction optimization of pepsin-soluble collagen from eggshell membrane by response surface methodology (RSM).

artículo científico publicado en 2015

Fluorescence turn off-on probe (β-cyclodextrin-hydroxyquinoline) for monitoring of Cd2+ ions and tetracycline

artículo científico publicado en 2020

Genetic-algorithm-based wavelength selection in multicomponent spectrophotometric determination by PLS: application on copper and zinc mixture.

artículo científico publicado en 2003

Global and local QSPR models to predict supercooled vapour pressure for organic compounds

artículo científico publicado en 2015

High-throughput Docking and Molecular Dynamics Simulations towards the Identification of Novel Peptidomimetic Inhibitors against CDC7

scientific article published on 09 July 2018

Identification of Essential 2D and 3D Chemical Features for Discovery of the Novel Tubulin Polymerization Inhibitors

scientific article published on 01 January 2019

Improvement of the Prediction Power of the CoMFA and CoMSIA Models on Histamine H3 Antagonists by Different Variable Selection Methods.

artículo científico publicado en 2012

In silico studies in drug research against neurodegenerative diseases

artículo científico

Kinetic spectrophotometric determination of thiocyanate based on its inhibitory effect on the oxidation of methyl red by bromate

scientific article published on 01 March 2001

Kinetic spectrophotometric determination of trace amounts of palladium by whole kinetic curve and a fixed time method using resazurine sulfide reaction

artículo científico publicado en 2008

Molecular dynamics simulation and 3D-pharmacophore analysis of new quinoline-based analogues with dual potential against EGFR and VEGFR-2

artículo científico publicado en 2019

Multi-wavelength spectrophotometric determination of the protolytic constants of tetracycline hydrochloride in some nonaqueous-water mixed solvents: a solvatochromism study

artículo científico publicado en 2010

Multiwavelength spectrophotometric determination of protolytic constants of 4-(2-pyridylazo) resorcinol (PAR) in binary DMF-water mixtures

artículo científico publicado en 2005

N-Heterocyclic (4-Phenylpiperazin-1-yl)methanones Derived from Phenoxazine and Phenothiazine as Highly Potent Inhibitors of Tubulin Polymerization

artículo científico publicado en 2017

New FRET primers for quantitative real-time PCR

artículo científico publicado en 2007

New buffers to improve the quantitative real-time polymerase chain reaction

artículo científico publicado en 2007

New unsymmetrical cyanine dyes for real-time thermal cycling.

artículo científico

Novel fused 1,2,3-triazolo-benzodiazepine derivatives as potent anticonvulsant agents: design, synthesis, in vivo, and in silico evaluations

scientific article published on 20 March 2019

Pharmacophore Identification, Molecular Docking, Virtual Screening, and In Silico ADME Studies of Non-Nucleoside Reverse Transcriptase Inhibitors

artículo científico publicado en 2012

Prediction of gas chromatography/electron capture detector retention times of chlorinated pesticides, herbicides, and organohalides by multivariate chemometrics methods

scientific article published on 20 February 2007

Proteochemometric Modeling of the Interaction Space of Carbonic Anhydrase and its Inhibitors: An Assessment of Structure-based and Sequence-based Descriptors.

artículo científico publicado en 2016

QSAR models for CXCR2 receptor antagonists based on the genetic algorithm for data preprocessing prior to application of the PLS linear regression method and design of the new compounds using in silico virtual screening.

artículo científico publicado en 2011

QSPR prediction of aqueous solubility of drug-like organic compounds

artículo científico publicado en 2007

Quantitative Characterization of the Interaction Space of the Mammalian Carbonic Anhydrase Isoforms I, II, VII, IX, XII, and XIV and their Inhibitors, Using the Proteochemometric Approach

artículo científico publicado en 2016

Quantitative structure-property relationship study of n-octanol-water partition coefficients of some of diverse drugs using multiple linear regression

artículo científico publicado en 2007

Second-order data obtained by beta-cyclodextrin complexes: a novel approach for multicomponent analysis with three-way multivariate calibration methods

artículo científico publicado en 2014

Simultaneous determination of binary solution of triphenylmethane dyes in complex matrices onto magnetic amino-rich SWCNT using second-order calibration method

artículo científico publicado en 2017

Simultaneous multicomponent spectrophotometric monitoring of methyl and propyl parabens using multivariate statistical methods after their preconcentration by robust ionic liquid-based dispersive liquid-liquid microextraction

artículo científico publicado en 2013

Simultaneous spectrophotometric determination of crystal violet and malachite green in water samples using partial least squares regression and central composite design after preconcentration by dispersive solid-phase extraction.

artículo científico publicado en 2017

Simultaneous spectrophotometric determination of nitroaniline isomers after cloud point extraction by using least-squares support vector machines.

artículo científico publicado en 2006

Simultaneous spectrophotometric determination of trace amount of polycyclic aromatic hydrocarbons in water samples after magnetic solid-phase extraction by using projection pursuit regression

artículo científico publicado en 2012

Simultaneous spectrophotometric determination of trace amounts of uranium, thorium, and zirconium using the partial least squares method after their preconcentration by alpha-benzoin oxime modified Amberlite XAD-2000 resin

artículo científico publicado en 2010

Simultaneous square wave voltammetric determination of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by partial least squares method in water samples

artículo científico publicado en 2007

Simultaneous voltammetric determination of morphine and noscapine by adsorptive differential pulse stripping method and least-squares support vector machines

artículo científico publicado en 2007

Spectrophotometric and thermodynamic study on the dimerization equilibrium of ionic dyes in water by chemometrics method

artículo científico publicado en 2006

Spectrophotometric determination of acidity constants of alizarine red S in water, water-Brij-35 and water-SDS micellar media solutions.

artículo científico publicado en 2006

Spectrophotometric determination of acidity constants of some anthraquinones and anthrones in methanol-water mixtures

artículo científico publicado en 1993

Spectrophotometric determination of trace amounts of fluoride using an Al-xylenol orange complex as a colored reagent

artículo científico publicado en 2009

Spectrophotometric simultaneous determination of nitroaniline isomers by orthogonal signal correction-partial least squares.

artículo científico publicado en 2005

Spectrophotometric study of the effects of surfactants and ethanol on the acidity constants of fluorescein

artículo científico publicado en 2008

Spectrophotometric-chemometrics study of the effect of solvent composition and temperature on the spectral shape and shift of copper and nickel phthalocyanines in different aqueous-nonaqueous mixed solvents

artículo científico publicado en 2019

Spectroscopic characterization of thiazole orange-3 DNA interaction

artículo científico publicado en 2008

Study of Complex Formation between 4-(2-Pyridylazo) Resorcinol and Al3+, Fe3+, Zn2+, and Cd2+Ions in an Aqueous Solution at 0.1 M Ionic Strength

Study on economic aspects of goat grubs in Iran ⬇️

artículo científico publicado el 1 de noviembre de 1997

Surfactant-mediated complex formation for determination of traces amounts of zinc, cadmium, and lead with 4-(2-thiazolylazo) resorcinol and chemometric methods

scientific article published on 17 March 2011

Synthesis and cholinesterase inhibitory activity of new 2-benzofuran carboxamide-benzylpyridinum salts

artículo científico publicado en 2018

The Effect of Single and Double Acetylation of Lysine Residues on Structural and Dynamical Features of Human Splicing Factor TDP-43 - A Statistical Ensemble Analysis

artículo científico publicado en 2018

Thermodynamic characterization of the dimerization equilibrium of an asymmetric dye by spectral titration and chemometric analysis

artículo científico publicado en 2004

Thermodynamic study of β-cyclodextrin-dye inclusion complexes using gradient flow injection technique and molecular modeling.

artículo científico publicado en 2016

Thermodynamics study of the dimerization equilibria of rhodamine B and 6G in different ionic strengths by photometric titration and chemometrics method

artículo científico publicado en 2005

Ultrasound-assisted ionic liquid-based microextraction combined with least squares support vector machines regression for the simultaneous determination of aluminum, gallium, and indium in water and coal samples

artículo científico publicado en 2011

Voltammetric Electronic Tongue for the Simultaneous Determination of Three Benzodiazepines

scientific article published on 16 November 2019

Voltammetric sensing of oxacillin by using a screen-printed electrode modified with molecularly imprinted polyaniline, gold nanourchins and graphene oxide

artículo científico publicado en 2019

beta-Correction as a preprocessing method for partial least squares in simultaneous determination of zinc and lead

artículo científico publicado en 2004

Lista de obras de Jahan Bakhsh Ghasemi

2D Quantitative structure-property relationship study of mycotoxins by multiple linear regression and support vector machine

3D QSAR studies, pharmacophore modeling, and virtual screening of diarylpyrazole-benzenesulfonamide derivatives as a template to obtain new inhibitors, using human carbonic anhydrase II as a model protein.

3D-QSAR analysis of human immunodeficiency virus entry-1 inhibitors by CoMFA and CoMSIA.

3D-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches

4D-LQTA-QSAR and docking study on potent Gram-negative specific LpxC inhibitors: a comparison to CoMFA modeling

A QSPR study on the GC retention times of a series of fatty, dicarboxylic and amino acids by MLR and ANN

A detailed structural study of cytotoxicity effect of ionic liquids on the leukemia rat cell line IPC-81 by three dimensional quantitative structure toxicity relationship

A new algorithm for the determination of protolytic constants from spectrophotometric data in multiwavelength mode: Calculations of acidity constants of 4-(2-pyridylazo)resorcinol (PAR) in mixed nonaqueous-water solvents

A new polymerizable fluorescent PET chemosensor of fluoride (F-) based on naphthalimide-thiourea dye.

A potentiometeric study of protonation and complex formation of xylenol orange with alkaline earth and aluminum ions

A quantitative structure property relationship for prediction of solubilization of hazardous compounds using GA-based MLR in CTAB micellar media

A quantitative structure- property relationship of gas chromatographic/mass spectrometric retention data of 85 volatile organic compounds as air pollutant materials by multivariate methods.

A rapid, automated gradient flow injection-spectrophotometric technique for study of metal complexation reactions

Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs.

An ultrasensitive fluorescence sensor for determination of trace levels of copper in blood samples

Application of Multivariate Linear and Nonlinear Calibration and Classification Methods in Drug Design

Application of genetic algorithm and multivariate methods in detection and measurement of milk-surfactant adulteration by attenuated total reflection and near-infrared spectroscopy

Application of multivariate optimization procedures for preconcentration and determination of Au(III) and Pt(IV) in aqueous samples with graphene oxide by X-ray fluorescence spectrometry.

Characterization of the interaction of glycyrrhizin and glycyrrhetinic acid with bovine serum albumin by spectrophotometric-gradient flow injection titration technique and molecular modeling simulations.

Chemometric analysis of comprehensive two dimensional gas chromatography-mass spectrometry metabolomics data.

Combating Diseases with Computational Strategies Used for Drug Design and Discovery

Combination of genetic algorithm and partial least squares for cloud point prediction of nonionic surfactants from molecular structures

Combined docking, molecular dynamics simulations and spectroscopic studies for the rational design of a dipeptide ligand for affinity chromatography separation of human serum albumin.

Comparative molecular field analysis and comparative molecular similarity index analysis studies on 1H NMR chemical shift of NH group of diaryl triazene derivatives

Computer-aided scaffold hopping to identify a novel series of casein kinase 1 delta (CK1d) inhibitors for amyotrophic lateral sclerosis.

Conductometric simultaneous determination of acetic acid, monochloroacetic acid and trichloroacetic acid using orthogonal signal correction-partial least squares

Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery

Design and Synthesis of Novel Cytotoxic Indole-Thiosemicarbazone Derivatives: Biological Evaluation and Docking Study

Design and synthesis of novel pyrazole-phenyl semicarbazone derivatives as potential α-glucosidase inhibitor: Kinetics and molecular dynamics simulation study

Developing a highly selective method for preconcentration and determination of cobalt in water and nut samples using 1-(2-pyridylazo)-2-naphthol and UV-visible spectroscopy

Development of a model to predict partition coefficient of organic pollutants in cloud point extraction process

Discovery of new potential antimalarial compounds using virtual screening of ZINC database.

Docking of Natural Products against Neurodegenerative Diseases: General Concepts.

Docking, CoMFA and CoMSIA studies of a series of sulfonamides derivatives as carbonic anhydrase I inhibitors

Dual-acting of Hybrid Compounds - A New Dawn in the Discovery of Multi-target Drugs: Lead Generation Approaches.

Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors

Editorial: In Silico Methodologies Applied to Drug Discovery

Enhanced visible-light-driven photocatalysis of in-situ reduced of bismuth on BiOCl nanosheets and montmorillonite loading: Synergistic effect and mechanism insight

Experimental and theoretical investigation effect of flavonols antioxidants on DNA damage.

Experimental, computational and chemometrics studies of BSA-vitamin B6 interaction by UV-Vis, FT-IR, fluorescence spectroscopy, molecular dynamics simulation and hard-soft modeling methods

Exploring 3D-QSPR models of human skin permeability for a diverse dataset of chemical compounds

Extraction optimization of pepsin-soluble collagen from eggshell membrane by response surface methodology (RSM).

Fluorescence turn off-on probe (β-cyclodextrin-hydroxyquinoline) for monitoring of Cd2+ ions and tetracycline

Genetic-algorithm-based wavelength selection in multicomponent spectrophotometric determination by PLS: application on copper and zinc mixture.

Global and local QSPR models to predict supercooled vapour pressure for organic compounds

High-throughput Docking and Molecular Dynamics Simulations towards the Identification of Novel Peptidomimetic Inhibitors against CDC7

Identification of Essential 2D and 3D Chemical Features for Discovery of the Novel Tubulin Polymerization Inhibitors

Improvement of the Prediction Power of the CoMFA and CoMSIA Models on Histamine H3 Antagonists by Different Variable Selection Methods.

In silico studies in drug research against neurodegenerative diseases

Kinetic spectrophotometric determination of thiocyanate based on its inhibitory effect on the oxidation of methyl red by bromate

Kinetic spectrophotometric determination of trace amounts of palladium by whole kinetic curve and a fixed time method using resazurine sulfide reaction

Molecular dynamics simulation and 3D-pharmacophore analysis of new quinoline-based analogues with dual potential against EGFR and VEGFR-2

Multi-wavelength spectrophotometric determination of the protolytic constants of tetracycline hydrochloride in some nonaqueous-water mixed solvents: a solvatochromism study

Multiwavelength spectrophotometric determination of protolytic constants of 4-(2-pyridylazo) resorcinol (PAR) in binary DMF-water mixtures

N-Heterocyclic (4-Phenylpiperazin-1-yl)methanones Derived from Phenoxazine and Phenothiazine as Highly Potent Inhibitors of Tubulin Polymerization

New FRET primers for quantitative real-time PCR

New buffers to improve the quantitative real-time polymerase chain reaction

New unsymmetrical cyanine dyes for real-time thermal cycling.

Novel fused 1,2,3-triazolo-benzodiazepine derivatives as potent anticonvulsant agents: design, synthesis, in vivo, and in silico evaluations

Pharmacophore Identification, Molecular Docking, Virtual Screening, and In Silico ADME Studies of Non-Nucleoside Reverse Transcriptase Inhibitors

Prediction of gas chromatography/electron capture detector retention times of chlorinated pesticides, herbicides, and organohalides by multivariate chemometrics methods

Proteochemometric Modeling of the Interaction Space of Carbonic Anhydrase and its Inhibitors: An Assessment of Structure-based and Sequence-based Descriptors.

QSAR models for CXCR2 receptor antagonists based on the genetic algorithm for data preprocessing prior to application of the PLS linear regression method and design of the new compounds using in silico virtual screening.

QSPR prediction of aqueous solubility of drug-like organic compounds

Quantitative Characterization of the Interaction Space of the Mammalian Carbonic Anhydrase Isoforms I, II, VII, IX, XII, and XIV and their Inhibitors, Using the Proteochemometric Approach

Quantitative structure-property relationship study of n-octanol-water partition coefficients of some of diverse drugs using multiple linear regression

Second-order data obtained by beta-cyclodextrin complexes: a novel approach for multicomponent analysis with three-way multivariate calibration methods

Simultaneous determination of binary solution of triphenylmethane dyes in complex matrices onto magnetic amino-rich SWCNT using second-order calibration method

Simultaneous multicomponent spectrophotometric monitoring of methyl and propyl parabens using multivariate statistical methods after their preconcentration by robust ionic liquid-based dispersive liquid-liquid microextraction

Simultaneous spectrophotometric determination of crystal violet and malachite green in water samples using partial least squares regression and central composite design after preconcentration by dispersive solid-phase extraction.

Simultaneous spectrophotometric determination of nitroaniline isomers after cloud point extraction by using least-squares support vector machines.

Simultaneous spectrophotometric determination of trace amount of polycyclic aromatic hydrocarbons in water samples after magnetic solid-phase extraction by using projection pursuit regression

Simultaneous spectrophotometric determination of trace amounts of uranium, thorium, and zirconium using the partial least squares method after their preconcentration by alpha-benzoin oxime modified Amberlite XAD-2000 resin

Simultaneous square wave voltammetric determination of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by partial least squares method in water samples

Simultaneous voltammetric determination of morphine and noscapine by adsorptive differential pulse stripping method and least-squares support vector machines

Spectrophotometric and thermodynamic study on the dimerization equilibrium of ionic dyes in water by chemometrics method

Spectrophotometric determination of acidity constants of alizarine red S in water, water-Brij-35 and water-SDS micellar media solutions.

Spectrophotometric determination of acidity constants of some anthraquinones and anthrones in methanol-water mixtures

Spectrophotometric determination of trace amounts of fluoride using an Al-xylenol orange complex as a colored reagent