Synthesis, molecular docking and some metabolic enzyme inhibition properties of biphenyl-substituted chalcone derivatives

Cholinesterases, carbonic anhydrase inhibitory properties and in silico studies of novel substituted benzylamines derived from dihydrochalcones

(2021) Akın Akıncıoğlu et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Exploring indole-based-thiadiazole derivatives as potent acetylcholinesterase and butyrylcholinesterase enzyme inhibitors

(2021) Muhammad Taha et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Design, synthesis, structure activity relationship and molecular docking studies of thiophene-2-carboxamide Schiff base derivatives of benzohydrazide as novel acetylcholinesterase and butyrylcholinesterase inhibitors

(2021) Naghmana Kausar et al.   JOURNAL OF MOLECULAR STRUCTURE

Effect of P-glycoprotein (P-gp) Inducers on Exposure of P-gp Substrates: Review of Clinical Drug–Drug Interaction Studies

(2020) Mohamed Elmeliegy et al.   CLINICAL PHARMACOKINETICS

Synthesis of novel organohalogen chalcone derivatives and screening of their molecular docking study and some enzymes inhibition effects

(2020) Serdar Burmaoglu et al.   JOURNAL OF MOLECULAR STRUCTURE

Application of MM-PBSA Methods in Virtual Screening

(2020) Giulio Poli et al.   MOLECULES

Novel propanolamine derivatives attached to 2-metoxifenol moiety: Synthesis, characterization, biological properties, and molecular docking studies

(2020) Hayriye Genc Bilgicli et al.   BIOORGANIC CHEMISTRY

Synthesis, characterization, inhibition effects, and molecular docking studies as acetylcholinesterase, α-glycosidase, and carbonic anhydrase inhibitors of novel benzenesulfonamides incorporating 1,3,5-triazine structural motifs

(2020) Nebih Lolak et al.   BIOORGANIC CHEMISTRY

The Effect of Nanoparticles on the Structure and Enzymatic Activity of Human Carbonic Anhydrase I and II

(2020) Celia Cabaleiro-Lago et al.   MOLECULES

Synthesis, characterization and bioactivities of dative donor ligand N-heterocyclic carbene (NHC) precursors and their Ag(I)NHC coordination compounds

(2020) Ali Kazancı et al.   POLYHEDRON

Measurement of anticancer, antidiabetic and anticholinergic properties of sumac (Rhus coriaria): analysis of its phenolic compounds by LC–MS/MS

(2019) Hatice Tohma et al.   Journal of Food Measurement and Characterization

Synthesis, biological evaluation and molecular docking of novel pyrazole derivatives as potent carbonic anhydrase and acetylcholinesterase inhibitors

(2019) Fikret Turkan et al.   BIOORGANIC CHEMISTRY

Synthesis and biological evaluation of bromophenol derivatives with cyclopropyl moiety: Ring opening of cyclopropane with monoester

(2019) Murat Boztas et al.   BIOORGANIC CHEMISTRY

Synthesis and biological evaluation of novel tris-chalcones as potent carbonic anhydrase, acetylcholinesterase, butyrylcholinesterase and α-glycosidase inhibitors

(2019) Serdar Burmaoglu et al.   BIOORGANIC CHEMISTRY

Investigation of inhibitory properties of some hydrazone compounds on hCA I, hCA II and AChE enzymes

(2019) Kaan Kucukoglu et al.   BIOORGANIC CHEMISTRY

Synthesis of novel tris-chalcones and determination of their inhibition profiles against some metabolic enzymes

(2019) Serdar Burmaoglu et al.   ARCHIVES OF PHYSIOLOGY AND BIOCHEMISTRY

Novel 2-methylimidazolium salts: Synthesis, characterization, molecular docking, and carbonic anhydrase and acetylcholinesterase inhibitory properties

(2019) Selma Bal et al.   BIOORGANIC CHEMISTRY

Novel 2-aminopyridine liganded Pd(II) N-heterocyclic carbene complexes: Synthesis, characterization, crystal structure and bioactivity properties

(2019) Fatoş Erdemir et al.   BIOORGANIC CHEMISTRY

Molecular docking studies on fluoro-substituted chalcones as potential DprE1 enzyme inhibitors

(2018) Gozde Yalcin et al.   JOURNAL OF MOLECULAR STRUCTURE

2-Hydroxyethyl substituted NHC precursors: Synthesis, characterization, crystal structure and carbonic anhydrase, α-glycosidase, butyrylcholinesterase, and acetylcholinesterase inhibitory properties

(2018) Fatoş Erdemir et al.   JOURNAL OF MOLECULAR STRUCTURE

Inhibition of carbonic anhydrase IX targets primary tumors, metastases, and cancer stem cells: Three for the price of one

(2018) Claudiu T. Supuran et al.   MEDICINAL RESEARCH REVIEWS

Synthesis, characterization, crystal structure, electrochemical studies and biological evaluation of metal complexes with thiosemicarbazone of glyoxylic acid

(2018) Mansura Huseynova et al.   POLYHEDRON

Screening the in vitro antioxidant, antimicrobial, anticholinesterase, antidiabetic activities of endemic Achillea cucullata (Asteraceae) ethanol extract

(2018) N. Eruygur et al.   SOUTH AFRICAN JOURNAL OF BOTANY

The effects of hesperidin on sodium arsenite-induced different organ toxicity in rats on metabolic enzymes as antidiabetic and anticholinergics potentials: A biochemical approach

(2018) Cuneyt Caglayan et al.   JOURNAL OF FOOD BIOCHEMISTRY

Hydrogen bond analysis of the EGFR-ErbB3 heterodimer related to non-small cell lung cancer and drug resistance

(2018) Avirup Ghosh et al.   JOURNAL OF THEORETICAL BIOLOGY

Imidazolinium chloride salts bearing wingtip groups: Synthesis, molecular docking and metabolic enzymes inhibition

(2018) Beyhan Yiğit et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis and bioactivities of pyrazoline benzensulfonamides as carbonic anhydrase and acetylcholinesterase inhibitors with low cytotoxicity

(2018) Dilan Ozmen Ozgun et al.   BIOORGANIC CHEMISTRY

Synthesis, characterization, crystal structure of novel bis-thiomethylcyclohexanone derivatives and their inhibitory properties against some metabolic enzymes

(2018) Abdullah Biçer et al.   BIOORGANIC CHEMISTRY

The first synthesis, carbonic anhydrase inhibition and anticholinergic activities of some bromophenol derivatives with S including natural products

(2018) Cetin Bayrak et al.   BIOORGANIC CHEMISTRY

Novel eugenol derivatives: Potent acetylcholinesterase and carbonic anhydrase inhibitors

(2017) Fevzi Topal et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Synephrine and phenylephrine act as α-amylase, α-glycosidase, acetylcholinesterase, butyrylcholinesterase, and carbonic anhydrase enzymes inhibitors

(2017) Parham Taslimi et al.   JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY

The impact of some natural phenolic compounds on carbonic anhydrase, acetylcholinesterase, butyrylcholinesterase, and α-glycosidase enzymes: An antidiabetic, anticholinergic, and antiepileptic study

(2017) Parham Taslimi et al.   JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY

Synthesis of chalcone-imide derivatives and investigation of their anticancer and antimicrobial activities, carbonic anhydrase and acetylcholinesterase enzymes inhibition profiles

(2017) Umit Muhammet Kocyigit et al.   ARCHIVES OF PHYSIOLOGY AND BIOCHEMISTRY

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

Acetylcholinesterase and carbonic anhydrase inhibitory properties of novel urea and sulfamide derivatives incorporating dopaminergic 2-aminotetralin scaffolds

(2016) Bünyamin Özgeriş et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Purification and characterization of the carbonic anhydrase enzyme from Black Sea trout (Salmo trutta Labrax Coruhensis) kidney and inhibition effects of some metal ions on enzyme activity

(2016) Murat Kucuk et al.   ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY

Inhibitory effects of isatin Mannich bases on carbonic anhydrases, acetylcholinesterase, and butyrylcholinesterase

(2016) Dilan Ozmen Ozgun et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

The synthesis of some β-lactams and investigation of their metal-chelating activity, carbonic anhydrase and acetylcholinesterase inhibition profiles

(2016) Burhanettin Turan et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Synthesis of 4,5-disubstituted-2-thioxo-1,2,3,4-tetrahydropyrimidines and investigation of their acetylcholinesterase, butyrylcholinesterase, carbonic anhydrase I/II inhibitory and antioxidant activities

(2016) Emin Garibov et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Synthesis and bioactivity studies on new 4-(3-(4-Substitutedphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl) benzenesulfonamides

(2016) Halise Inci Gul et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Synthesis, carbonic anhydrase I and II inhibition studies of the 1,3,5-trisubstituted-pyrazolines

(2016) Halise Inci Gul et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Synthesis of some tetrahydropyrimidine-5-carboxylates, determination of their metal chelating effects and inhibition profiles against acetylcholinesterase, butyrylcholinesterase and carbonic anhydrase

(2016) Afsun Sujayev et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

N-Acylsulfonamides strongly inhibit human carbonic anhydrase isoenzymes I and II

(2015) Alper Yıldırım et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Anti-cancer chalcones: Structural and molecular target perspectives

(2015) Debarshi Kar Mahapatra et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

(2015) Samuel Genheden et al.   Expert Opinion on Drug Discovery

The effect of caffeic acid phenethyl ester (CAPE) on metabolic enzymes including acetylcholinesterase, butyrylcholinesterase, glutathione S-transferase, lactoperoxidase, and carbonic anhydrase isoenzymes I, II, IX, and XII

(2015) İlhami Gülçin et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

The impact of hydroquinone on acetylcholine esterase and certain human carbonic anhydrase isoenzymes (hCA I, II, IX, and XII)

(2015) Andrea Scozzafava et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

The effects of some bromophenols on human carbonic anhydrase isoenzymes

(2015) Parham Taslimi et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

The human carbonic anhydrase isoenzymes I and II (hCA I and II) inhibition effects of trimethoxyindane derivatives

(2015) Parham Taslimi et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Synthesis of Xanthohumol Analogues and Discovery of Potent Thioredoxin Reductase Inhibitor as Potential Anticancer Agent

(2015) Baoxin Zhang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening

(2015) Salla I. Virtanen et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Synthesis, Antiproliferative Activity and Molecular Properties Predictions of Galloyl Derivatives

(2015) Marciane Maximo da Silva et al.   MOLECULES

Synthesis and Carbonic Anhydrase Inhibitory Effects of Novel Sulfamides Derived from 1-Aminoindanes and Anilines

(2014) Yusuf Akbaba et al.   ARCHIV DER PHARMAZIE

Oxidation of cyanobenzocycloheptatrienes: Synthesis, photooxygenation reaction and carbonic anhydrase isoenzymes inhibition properties of some new benzotropone derivatives

(2014) Murat Güney et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Capsaicin: A Potent Inhibitor of Carbonic Anhydrase Isoenzymes

(2014) Betul Arabaci et al.   MOLECULES

Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring

(2014) Huiyong Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Chiral 1,3,4-Oxadiazol-2-ones as Highly Selective FAAH Inhibitors

(2013) Jayendra Z. Patel et al.   JOURNAL OF MEDICINAL CHEMISTRY

(3,4-Dihydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone and its derivatives as carbonic anhydrase isoenzymes inhibitors

(2012) Meryem Nar et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method

(2012) Nadine Homeyer et al.   Molecular Informatics

UCSF Chimera, MODELLER, and IMP: An integrated modeling system

(2011) Zheng Yang et al.   JOURNAL OF STRUCTURAL BIOLOGY

Molecular Docking of Intercalators and Groove-Binders to Nucleic Acids Using Autodock and Surflex

(2008) Patrick A. Holt et al.   Journal of Chemical Information and Modeling