Pyrazoline analogs as potential anticancer agents and their apoptosis, molecular docking, MD simulation, DNA binding and antioxidant studies

Synthesis, structure elucidation, and in vitro pharmacological evaluation of novel polyfluoro substituted pyrazoline type sulfonamides as multi-target agents for inhibition of acetylcholinesterase and carbonic anhydrase I and II enzymes

(2020) Cem Yamali et al.   BIOORGANIC CHEMISTRY

Synthesis and in vitro investigation of novel cytotoxic pyrimidine and pyrazolopyrimidne derivatives showing apoptotic effect

(2020) Fatma A. Ragab et al.   BIOORGANIC CHEMISTRY

Natural ingredients-derived antioxidants attenuate H2O2-induced oxidative stress and have chondroprotective effects on human osteoarthritic chondrocytes via Keap1/Nrf2 pathway

(2020) Junjun Yang et al.   FREE RADICAL BIOLOGY AND MEDICINE

Identification of Potential Dipeptidyl Peptidase (DPP)-IV Inhibitors among Moringa oleifera Phytochemicals by Virtual Screening, Molecular Docking Analysis, ADME/T-Based Prediction, and In Vitro Analyses

(2020) Yang Yang et al.   MOLECULES

Mechanistic insights into the urea-induced denaturation of a non-seleno thiol specific antioxidant human peroxiredoxin 6

(2020) Sana Qausain et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Facile synthesis of chalcone derivatives as antibacterial agents: Synthesis, DNA binding, molecular docking, DFT and antioxidant studies

(2020) Rizwan Arif et al.   JOURNAL OF MOLECULAR STRUCTURE

FRCD: A comprehensive food risk component database with molecular scaffold, chemical diversity, toxicity, and biodegradability analysis

(2020) Dachuan Zhang et al.   FOOD CHEMISTRY

Biological activities of pyrazoline-indole based Re(I) carbonyls: DNA interaction, antibacterial, anticancer, ROS production, lipid peroxidation, in vivo and in vitro cytotoxicity studies

(2020) Reena R. Varma et al.   CHEMICO-BIOLOGICAL INTERACTIONS

SAR and molecular mechanism studies of monoamine oxidase inhibition by selected chalcone analogs

(2019) Raed Shalaby et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Identification and Evaluation of Inhibitors of Lipase from Malassezia restricta using Virtual High-Throughput Screening and Molecular Dynamics Studies

(2019) Shahid Ali et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Inner metal complexes of tetradentate Schiff base: Synthesis, characterization, biological activity and molecular docking studies

(2019) M.A. Diab et al.   APPLIED ORGANOMETALLIC CHEMISTRY

An In Vitro elucidation of the antiaggregatory potential of Diosminover thermally induced unfolding of hen egg white lysozyme; A preventive quest for lysozyme amyloidosis

(2019) Mohammad Furkan et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Schiff base clubbed benzothiazole: synthesis, potent antimicrobial and MCF-7 anticancer activity, DNA cleavage and computational study

(2019) Virendra R. Mishra et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Synthesis of New Pyrazole Derivatives, Their Anti-Inflammatory and Analgesic Activities, and Molecular Docking Studies

(2019) M. F. El Shehry et al.   RUSSIAN JOURNAL OF GENERAL CHEMISTRY

Synthesis of thymol-based pyrazolines: An effort to perceive novel potent-antimalarials

(2019) Dushyant Singh Raghuvanshi et al.   BIOORGANIC CHEMISTRY

Simplified Treatment of Electronic Structures of the Lowest Singlet and Triplet States of Didehydropyrazines

(2019) Sudip Chattopadhyay   JOURNAL OF PHYSICAL CHEMISTRY A

Synthesis and evaluation of novel D-ring substituted steroidal pyrazolines as potential anti-inflammatory agents

(2019) Xiaorui Cai et al.   STEROIDS

Microwave assisted synthesis of chalcone and its polycyclic heterocyclic analogues as promising antibacterial agents: In vitro, in silico and DFT studies

(2019) Salman A. Khan et al.   JOURNAL OF MOLECULAR STRUCTURE

Electrochemical characterization and estimation of DNA-binding capacity of a series of novel ferrocene derivatives

(2019) Marko Pešić et al.   BIOELECTROCHEMISTRY

Design, synthesis and biological evaluation of a new series of thiazolyl-pyrazolines as dual EGFR and HER2 inhibitors

(2019) Belgin Sever et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Design, synthesis and anticancer evaluation of novel 1,3-benzodioxoles and 1,4-benzodioxines

(2019) Rasha Mohamed Hassan et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

PEO-chitosan nanofibers containing carboxymethyl-hexanoyl chitosan/dodecyl sulfate nanoparticles loaded with pyrazoline for skin cancer treatment

(2019) Andrés Felipe Chamorro Rengifo et al.   EUROPEAN POLYMER JOURNAL

Monitoring the antioxidant capacity in honey and fruit juices using a microfluidic device with a NaHCO3-H2O2-Co2+ chemiluminescence reaction

(2019) Mortaza Iranifam et al.   FOOD CHEMISTRY

Selective fluorometric “Turn-off” sensing for Hg2+ with pyrazoline compound and its application in real water sample analysis

(2019) Ebru Bozkurt et al.   INORGANICA CHIMICA ACTA

Antitumor agents 7. Synthesis, antiproliferative activity and molecular modeling of new l-lysine-conjugated pyridophenoxazinones as potent DNA-binding ligands and topoisomerase IIα inhibitors

(2019) Silvana Pedatella et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Synthesis, antiproliferative activity and DNA/RNA-binding properties of mono- and bis-(1,2,3-triazolyl)-appended benzimidazo[1,2-a]quinoline derivatives

(2019) Andrijana Meščić Macan et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Crystal, Hirshfeld, ADMET, drug-like and anticancer study of some newly synthesized imidazopyridine containing pyrazoline derivatives

(2019) Sharanya Kuthyala et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, characterization, theoretical and molecular docking studies of mixed-ligand complexes of Cu(II), Ni(II), Co(II), Mn(II), Cr(III), UO2(II) and Cd(II)

(2019) A.Z. El-Sonbati et al.   JOURNAL OF MOLECULAR STRUCTURE

Polymer complexes. LXXI. Spectroscopic studies, thermal properties, DNA binding and antimicrobial activity of polymer complexes

(2018) M.A. Diab et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Synthesis, spectroscopic, thermal properties, Calf thymus DNA binding and quantum chemical studies of M(II) complexes

(2018) Sh.M. Morgan et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Polymer complexes. LXIX. Some divalent metal(II) polymer complexes of potentially bidentate monomer N-[4-(5-methyl-isoxazol-3-ylsulfamoyl)-phenyl]-acrylamide: Synthesis, spectroscopic characterization, thermal properties, antimicrobial agents and DNA stud

(2018) A.Z. El-Sonbati et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Design, synthesis and biological evaluation of new β-carboline-bisindole compounds as DNA binding, photocleavage agents and topoisomerase I inhibitors

(2018) Jeshma Kovvuri et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Structure-based lead optimization to improve antiviral potency and ADMET properties of phenyl-1H-pyrrole-carboxamide entry inhibitors targeted to HIV-1 gp120

(2018) Francesca Curreli et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Novel nicotinoyl pyrazoline derivates bearing N-methyl indole moiety as antitumor agents: Design, synthesis and evaluation

(2018) Kun Chen et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Mechanistic insights into the urea-induced denaturation of kinase domain of human integrin linked kinase

(2018) Sunayana Begum Syed et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression

(2018) Farha Naz et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)

(2018) Taj Mohammad et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Synthesis, characterization and biological applications of some substituted pyrazoline based palladium (II) compounds

(2018) Khyati P. Thakor et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Elucidation of interaction mechanism of ellagic acid to the integrin linked kinase

(2018) Mehak Gulzar et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

High throughput screening, docking and molecular dynamics studies to identify potential inhibitors of human calcium/calmodulin-dependent protein kinase IV

(2018) Anam Beg et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Synthesis of novel pyrazoline derivatives and the evaluation of death mechanisms involved in their antileukemic activity

(2018) Natália Marceli Stefanes et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Geometrical structures, thermal properties and spectroscopic studies of Schiff base complexes: Correlation between ionic radius of metal complexes and DNA binding

(2017) Sh.M. Morgan et al.   JOURNAL OF MOLECULAR LIQUIDS

Thermal properties, antimicrobial activity and DNA binding of Ni(II) complexes of azo dye compounds

(2017) A.Z. El-Sonbati et al.   JOURNAL OF MOLECULAR LIQUIDS

Investigation of the complex structure, comparative DNA-binding and DNA cleavage of two water-soluble mono-nuclear lanthanum(III) complexes and cytotoxic activity of chitosan-coated magnetic nanoparticles as drug delivery for the complexes

(2017) Zahra Asadi et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

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

(2017) Antoine Daina et al.   Scientific Reports

Design, synthesis, cytotoxicity, HuTopoIIα inhibitory activity and molecular docking studies of pyrazole derivatives as potential anticancer agents

(2016) Raquib Alam et al.   BIOORGANIC CHEMISTRY

4, 5-Dihydrooxazole-pyrazoline hybrids: Synthesis and their evaluation as potential antimalarial agents

(2016) Ashutosh Kumar Pandey et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Design, Synthesis, and Cytotoxicity Evaluation of 3-(5-(3-(aryl)-1-phenyl-1H-pyrazol-4-yl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyridine and 5-(3-(aryl)-1-phenyl-1H-pyrazol-4-yl)-3-(pyridin-3-yl)-4,5-dihydropyrazole-1-carbaldehyde Derivatives as Potential

(2016) Raquib Alam et al.   JOURNAL OF HETEROCYCLIC CHEMISTRY

Design, synthesis, structural elucidation, pharmacological evaluation of metal complexes with pyrazoline derivatives

(2016) M. Sirajul Muneera et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY

Calorimetric and spectroscopic binding studies of amoxicillin with human serum albumin

(2016) Shama Yasmeen et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Isolation of proton transfer complexes containing 4-picolinium as cation and pyridine-2,6-dicarboxylate complex as anion: crystallographic and spectral investigations, antioxidant activities and molecular docking studies

(2016) Istikhar A. Ansari et al.   RSC Advances

A novel series of thiazolyl–pyrazoline derivatives: Synthesis and evaluation of antifungal activity, cytotoxicity and genotoxicity

(2015) Mehlika Dilek Altıntop et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Synthesis, molecular docking and biological evaluation of some novel tetrazolo[1,5-a]quinoline incorporated pyrazoline and isoxazoline derivatives

(2015) Mukesh D. Nikam et al.   MEDICINAL CHEMISTRY RESEARCH

Multi-spectroscopic and molecular modelling studies on the interaction of esculetin with calf thymus DNA

(2015) Tarique Sarwar et al.   Molecular BioSystems

Homologous 1,3,5-triarylpyrazolines: synthesis, CH⋯π interactions guided self-assembly and effect of alkyloxy chain length on DNA binding properties

(2014) Faiza Anam et al.   NEW JOURNAL OF CHEMISTRY

Synthesis, characterization, antibacterial, antioxidant, DNA binding and SAR study of a novel pyrazine moiety bearing 2-pyrazoline derivatives

(2014) Bheru Singh Kitawat et al.   NEW JOURNAL OF CHEMISTRY

The synthesis and photoactivated cytotoxicity of novel 5-phenyl-3-(2,2′:5′,2″-terthien-5-yl)-4,5-dihydro-1H-pyrazolines

(2013) Zhi-Gang Luo et al.   CHINESE CHEMICAL LETTERS

Structure and Dynamics of Urea/Water Mixtures Investigated by Vibrational Spectroscopy and Molecular Dynamics Simulation

(2013) J. K. Carr et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A systematic investigation on biological activities of a novel double zwitterionic Schiff base Cu(II) complex

(2013) S. Thalamuthu et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Copper(II) complexes of terpyridine derivatives: A footstep towards development of antiproliferative agent for breast cancer

(2012) Subramaniyam Rajalakshmi et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Microwave-assisted synthesis and pharmacological studies of novel 5-deazaalloxazine derivatives

(2011) Vetrivel Nadaraj et al.   MEDICINAL CHEMISTRY RESEARCH

Synthesis, characterization, antiamoebic activity and cytotoxicity of novel series of pyrazoline derivatives bearing quinoline tail

(2010) Faisal Hayat et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Synthesis of 1-phenyl-3-biphenyl-5-(N-ethylcarbazole-3-yl)-2-pyrazoline and its use as DNA probe

(2009) Junfen Li et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Urea and Guanidinium Chloride Denature Protein L in Different Ways in Molecular Dynamics Simulations

(2008) C. Camilloni et al.   BIOPHYSICAL JOURNAL

Synthesis, characterization and DNA-binding studies of 1-cyclohexyl-3-tosylurea and its Ni(II), and Cd(II) complexes

(2008) Pin-xian Xi et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY