Design, syntheses, theoretical calculations, MM-GBSA, potential anti-cancer and enzyme activities of novel Schiff base compounds

Synthesis, antioxidant, and anticholinesterase activities of novel N‐arylsulfonyl hydrazones bearing sulfonate ester scaffold

(2023) Eyüp Başaran   JOURNAL OF THE CHINESE CHEMICAL SOCIETY

Eco-friendly and potential colin esterase enzyme inhibitor agent sulfonyl hydrazone series: Synthesis, Bioactivity Screening, DFT, ADME properties, and Molecular Docking study

(2023) Ummuhan Ozdemir Ozmen et al.   Journal of Molecular Structure

New 4‐phenylpiperazine‐carbodithioate‐ N ‐phenylacetamide hybrids: Synthesis, in vitro and in silico evaluations against cholinesterase and α‐glucosidase enzymes

(2022) Maryam Mohammadi‐Khanaposhtani et al.   ARCHIV DER PHARMAZIE

Polyphenol Contents, Potential Antioxidant, Anticholinergic and Antidiabetic Properties of Mountain Mint ( Cyclotrichium leucotrichum )

(2022) İlhami Gülçin et al.   CHEMISTRY & BIODIVERSITY

Advancing therapy for neuroblastoma

(2022) Bo Qiu et al.   Nature Reviews Clinical Oncology

Synthesis, computational analyses, antibacterial and antibiofilm properties of nicotinamide derivatives

(2022) Ayşe Hümeyra Taşkın Kafa et al.   STRUCTURAL CHEMISTRY

Synthesis, structural confirmation, antibacterial properties and bio-informatics computational analyses of new pyrrole based on 8-hydroxyquinoline

(2022) Younes Lakhrissi et al.   JOURNAL OF MOLECULAR STRUCTURE

Phytochemical Analysis and Biological Evaluation of  Hypericum linarioides  Bosse: in Vitro and in Silico Studies

(2022) Ahmet Altay et al.   ChemistrySelect

Benzotriazole-oxadiazole hybrid Compounds: Synthesis, anticancer Activity, molecular docking and ADME profiling studies

(2022) Arif Mermer et al.   JOURNAL OF MOLECULAR LIQUIDS

Determination of biological studies and molecular docking calculations of isatin-thiosemicarbazone hybrid compounds

(2022) Ümit M. Koçyiğit et al.   JOURNAL OF MOLECULAR STRUCTURE

Exploring molecular docking with MM-GBSA and molecular dynamics simulation to predict potent inhibitors of cyclooxygenase (COX-2) enzyme from terpenoid-based active principles of Zingiber species

(2022) Ananya Nayak et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Synthesis, crystal structure, Hirshfeld surface analysis, DNA binding, optical and nonlinear optical properties of Schiff bases derived from o-aminophenol

(2022) Khurram S. Munawar et al.   JOURNAL OF MOLECULAR STRUCTURE

Design, Spectroscopic, and Crystal Structural Characterization of New Pyrazolone-Based Schiff Bases: Molecular Docking Investigations against SARS-Covid-19 Main Proteases (PDB Ids: 6LU7 and 7TLL)

(2022) Maryam Hasanzadeh Esfahani et al.   POLYCYCLIC AROMATIC COMPOUNDS

PEPPSI type Pd(II)NHC Complexes Bearing Chloro-/Fluorobenzyl Group: Synthesis, Characterization, Crystal Structures, α-Glycosidase and Acetylcholinesterase Inhibitory Properties

(2021) Selma Bal et al.   POLYHEDRON

Design, synthesis, molecular docking, and some metabolic enzyme inhibition properties of novel quinazolinone derivatives

(2021) Feyzi S. Tokalı et al.   ARCHIV DER PHARMAZIE

Synthesis, Characterization, and Inhibition Study of Novel Substituted Phenylureido Sulfaguanidine Derivatives as α‐Glycosidase and Cholinesterase Inhibitors

(2021) Suleyman Akocak et al.   CHEMISTRY & BIODIVERSITY

Synthesis, biological activity and docking calculations of bis-naphthoquinone derivatives from Lawsone

(2021) Muhammad Tariq Riaz et al.   BIOORGANIC CHEMISTRY

Recent progresses in Schiff bases as aqueous phase corrosion inhibitors: Design and applications

(2021) Chandrabhan Verma et al.   COORDINATION CHEMISTRY REVIEWS

1, 3‐dipolar cycloaddition reactions of the compound obtaining from cyclopentadiene‐PTAD and biological activities of adducts formed selectively

(2021) Mirali Akbar Yavari et al.   JOURNAL OF HETEROCYCLIC CHEMISTRY

Cytotoxic effect, spectroscopy, DFT, enzyme inhibition, and moleculer docking studies of some novel mesitylaminopropanols: Antidiabetic and anticholinergics and anticancer potentials

(2021) Ali N. Khalilov et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis, biological and theoretical properties of crystal zinc complex with thiosemicarbazone of glyoxylic acid

(2021) Mansura Huseynova et al.   JOURNAL OF MOLECULAR STRUCTURE

Anticholinesterase activities of novel indole-based hydrazide-hydrazone derivatives: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction

(2021) Ebru Didem Coşar et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, crystal structure, DFT, α-glucosidase and α-amylase inhibition and molecular docking studies of (E)-N'-(4-chlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide

(2021) Khalid Karrouchi et al.   JOURNAL OF MOLECULAR STRUCTURE

Selenourea and thiourea derivatives of chiral and achiral enetetramines: Synthesis, characterization and enzyme inhibitory properties

(2021) Murat Yiğit et al.   BIOORGANIC CHEMISTRY

Genetic predisposition and chromosome instability in neuroblastoma

(2020) Gian Paolo Tonini et al.   CANCER AND METASTASIS REVIEWS

Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes

(2020) Stane Pajk et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Determination of anticancer properties and inhibitory effects of some metabolic enzymes including acetylcholinesterase, butyrylcholinesterase, alpha glycosidase of some compounds with molecular docking study

(2020) Fikret Türkan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Phthalocyanine complexes with (4-isopropylbenzyl)oxy substituents: preparation and evaluation of anti-carbonic anhydrase, anticholinesterase enzymes and molecular docking studies

(2020) Emre Güzel et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Design, synthesis, characterization, biological evaluation, and molecular docking studies of novel 1,2-aminopropanthiols substituted derivatives as selective carbonic anhydrase, acetylcholinesterase and α-glycosidase enzymes inhibitors

(2020) Afat Huseynova et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Synthesis, characterization, crystal structure and bioactivity properties of the benzimidazole-functionalized PEPPSI type of Pd(II)NHC complexes

(2020) Semra Daşgın et al.   JOURNAL OF MOLECULAR STRUCTURE

Identification of potent human carbonic anhydrase IX inhibitors: a combination of pharmacophore modeling, 3D-QSAR, virtual screening and molecular dynamics simulations

(2020) Varun Chahal et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

1,2,3-Triazole substituted phthalocyanine metal complexes as potential inhibitors for anticholinesterase and antidiabetic enzymes with molecular docking studies

(2020) Ümit M. Koçyiğit et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Probing 4-(diethylamino)-salicylaldehyde-based thiosemicarbazones as multi-target directed ligands against cholinesterases, carbonic anhydrases and α-glycosidase enzymes

(2020) Sadaf Hashmi et al.   BIOORGANIC CHEMISTRY

Synthesis of tetra-substituted phthalocyanines bearing 2-(ethyl(m-tolyl)amino)ethanol: Computational and photophysicochemical studies

(2019) Armağan Günsel et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

A review of the applications of Schiff bases as optical chemical sensors

(2019) Asnake Lealem Berhanu et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Synthesis, characterization, and anticancer activity of Schiff bases

(2019) Noor Uddin et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Maintaining Outstanding Outcomes Using Response- and Biology-Based Therapy for Intermediate-Risk Neuroblastoma: A Report From the Children’s Oncology Group Study ANBL0531

(2019) Clare J. Twist et al.   JOURNAL OF CLINICAL ONCOLOGY

Molecular docking and molecular dynamics simulation studies to identify potent AURKA inhibitors: assessing the performance of density functional theory, MM-GBSA and mass action kinetics calculations

(2019) Sathishkumar Chinnasamy et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Synthesis of tetra-substituted metallophthalocyanines: Spectral, structural, computational studies and investigation of their photophysical and photochemical properties

(2018) Emre Güzel et al.   POLYHEDRON

Selective chemosensor phthalocyanines for Pd2+ ions; synthesis, characterization, quantum chemical calculation, photochemical and photophysical properties

(2018) Armağan Günsel et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis of new heterocyclic compounds based on pyrazolopyridine scaffold and evaluation of their neuroprotective potential in MPP + -induced neurodegeneration

(2017) Jabrane Jouha et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

D4dopamine receptor high-resolution structures enable the discovery of selective agonists

(2017) Sheng Wang et al.   SCIENCE

Synthesis and antibacterial activity of Schiff bases of 5-substituted isatins

(2016) Kamaleddin Haj Mohammad Ebrahim Tehrani et al.   CHINESE CHEMICAL LETTERS

Neuroblastoma

(2016) Katherine K. Matthay et al.   Nature Reviews Disease Primers

Childhood cancer survival in Europe 1999–2007: results of EUROCARE-5—a population-based study

(2013) Gemma Gatta et al.   LANCET ONCOLOGY

Structures of Human Acetylcholinesterase Bound to Dihydrotanshinone I and Territrem B Show Peripheral Site Flexibility

(2013) Jonah Cheung et al.   ACS Medicinal Chemistry Letters

Substrate Orientation and Catalytic Specificity in the Action of Xanthine Oxidase

(2010) Hongnan Cao et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Recent Advances in Neuroblastoma

(2010) John M. Maris   NEW ENGLAND JOURNAL OF MEDICINE

Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

(2010) E. Y. T. Chien et al.   SCIENCE

Assessment of the Performance of the M05−2X and M06−2X Exchange-Correlation Functionals for Noncovalent Interactions in Biomolecules

(2008) Edward G. Hohenstein et al.   Journal of Chemical Theory and Computation

Catalytic activities of Schiff base transition metal complexes

(2007) K.C. Gupta et al.   COORDINATION CHEMISTRY REVIEWS