List of works - Kemal Yelekci

Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening, molecular docking and dynamics simulation studies

scientific article published on 16 May 2018

Corrected Panel-Reactive Antibody Positivity Rates for Hypersensitized Patients in Turkish Population With Calculated Panel-Reactive Antibody Software

scientific article published in April 2017

Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10

scientific article published on 08 November 2019

Design, Synthesis and hMAO Inhibitory Screening of Novel 2-Pyrazoline Analogues

scientific article published on 3 May 2017

Docking of novel reversible monoamine oxidase-B inhibitors: efficient prediction of ligand binding sites and estimation of inhibitors thermodynamic properties

scientific article published on 31 March 2007

Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds.

scientific article published in October 2005

Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies

scientific article

Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes

scientific article published on 20 April 2020

Effect of The Locus of The Oxygen Atom in Amino Ethers on the Inactivation of Monoamine Oxidase B

scientific article published on 01 February 1998

Evaluation of selective human MAO inhibitory activities of some novel pyrazoline derivatives

scientific article published on 30 January 2013

Examining the stability of binding modes of the co-crystallized inhibitors of human HDAC8 by molecular dynamics simulation

scientific article published on 20 May 2019

Flavonoids from Sideritis Species: Human Monoamine Oxidase (hMAO) Inhibitory Activities, Molecular Docking Studies and Crystal Structure of Xanthomicrol.

scientific article

Histone Deacetylase Inhibition Activity and Molecular Docking of (E )-Resveratrol: Its Therapeutic Potential in Spinal Muscular Atrophy

scientific article (publication date: March 2009)

Homology modeling and in silico design of novel and potential dual-acting inhibitors of human histone deacetylases HDAC5 and HDAC9 isozymes

scientific article published on 27 July 2020

Homology modeling of human histone deacetylase 10 and design of potential selective inhibitors

scientific article published on 10 January 2019

Human dopamine transporter: the first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificities

scientific article published on 15 January 2018

Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening, ADMET prediction and molecular dynamics simulation assay

scientific article published on 22 September 2017

In silico identification of novel and selective monoamine oxidase B inhibitors

scientific article published on 15 December 2012

Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: docking and quantum chemical calculations.

scientific article

New hMAO-A Inhibitors with Potential Antidepressant Activity: Design, Synthesis, Biological Screening and Evaluation of Pharmacological Activity.

scientific article published on 3 May 2017

Observation of a Flavin Semiquinone in the Resting State of Monoamine Oxidase B by Electron Paramagnetic Resonance and Electron Nuclear Double Resonance Spectroscopy†,‡

article

Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6

scientific article published on 02 November 2018

Structure-based virtual screening for novel potential selective inhibitors of class IIa histone deacetylases for cancer treatment

scientific article published on 22 April 2021

Synthesis and Screening of Human Monoamine Oxidase-A Inhibitor Effect of New 2-Pyrazoline and Hydrazone Derivatives.

scientific article published on 21 August 2015

Synthesis and molecular modeling of some novel hexahydroindazole derivatives as potent monoamine oxidase inhibitors.

scientific article published on 23 July 2009

Synthesis of some novel hydrazone and 2-pyrazoline derivatives: monoamine oxidase inhibitory activities and docking studies

scientific article published on 17 June 2014

Synthesis, Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors

scientific article published on 06 August 2018

Synthesis, anticancer activity, and molecular modeling of etodolac-thioether derivatives as potent methionine aminopeptidase (type II) inhibitors

scientific article published on 25 March 2018

Synthesis, molecular modeling, and in vitro screening of monoamine oxidase inhibitory activities of some novel hydrazone derivatives

scientific article published on 18 January 2013

Synthesis, molecular modeling, in vivo study, and anticancer activity of 1,2,4-triazole containing hydrazide-hydrazones derived from (S)-naproxen

scientific article published on 22 May 2019

The design of potent HIV-1 integrase inhibitors by a combined approach of structure-based virtual screening and molecular dynamics simulation

scientific article published on 02 January 2019

cis-Cyclopropylamines as mechanism-based inhibitors of monoamine oxidases

scientific article

List of works by Kemal Yelekci

Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening, molecular docking and dynamics simulation studies

Corrected Panel-Reactive Antibody Positivity Rates for Hypersensitized Patients in Turkish Population With Calculated Panel-Reactive Antibody Software

Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10

Design, Synthesis and hMAO Inhibitory Screening of Novel 2-Pyrazoline Analogues

Docking of novel reversible monoamine oxidase-B inhibitors: efficient prediction of ligand binding sites and estimation of inhibitors thermodynamic properties

Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds.

Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies

Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes

Effect of The Locus of The Oxygen Atom in Amino Ethers on the Inactivation of Monoamine Oxidase B

Evaluation of selective human MAO inhibitory activities of some novel pyrazoline derivatives

Examining the stability of binding modes of the co-crystallized inhibitors of human HDAC8 by molecular dynamics simulation

Flavonoids from Sideritis Species: Human Monoamine Oxidase (hMAO) Inhibitory Activities, Molecular Docking Studies and Crystal Structure of Xanthomicrol.

Histone Deacetylase Inhibition Activity and Molecular Docking of (E )-Resveratrol: Its Therapeutic Potential in Spinal Muscular Atrophy

Homology modeling and in silico design of novel and potential dual-acting inhibitors of human histone deacetylases HDAC5 and HDAC9 isozymes

Homology modeling of human histone deacetylase 10 and design of potential selective inhibitors

Human dopamine transporter: the first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificities

Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening, ADMET prediction and molecular dynamics simulation assay

In silico identification of novel and selective monoamine oxidase B inhibitors

Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: docking and quantum chemical calculations.

New hMAO-A Inhibitors with Potential Antidepressant Activity: Design, Synthesis, Biological Screening and Evaluation of Pharmacological Activity.

Observation of a Flavin Semiquinone in the Resting State of Monoamine Oxidase B by Electron Paramagnetic Resonance and Electron Nuclear Double Resonance Spectroscopy†,‡

Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6

Structure-based virtual screening for novel potential selective inhibitors of class IIa histone deacetylases for cancer treatment

Synthesis and Screening of Human Monoamine Oxidase-A Inhibitor Effect of New 2-Pyrazoline and Hydrazone Derivatives.

Synthesis and molecular modeling of some novel hexahydroindazole derivatives as potent monoamine oxidase inhibitors.

Synthesis of some novel hydrazone and 2-pyrazoline derivatives: monoamine oxidase inhibitory activities and docking studies

Synthesis, Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors

Synthesis, anticancer activity, and molecular modeling of etodolac-thioether derivatives as potent methionine aminopeptidase (type II) inhibitors

Synthesis, molecular modeling, and in vitro screening of monoamine oxidase inhibitory activities of some novel hydrazone derivatives

Synthesis, molecular modeling, in vivo study, and anticancer activity of 1,2,4-triazole containing hydrazide-hydrazones derived from (S)-naproxen

The design of potent HIV-1 integrase inhibitors by a combined approach of structure-based virtual screening and molecular dynamics simulation

cis-Cyclopropylamines as mechanism-based inhibitors of monoamine oxidases