Virtual screening, ADME study, and molecular dynamic simulation of chalcone and flavone derivatives as 5-Lipoxygenase (5-LO) inhibitor

QRコード

Virtual screening, ADME study, and molecular dynamic simulation of chalcone and flavone derivatives as 5-Lipoxygenase (5-LO) inhibitor

5-Lipoxygenase (5-LO) is one of the key enzymes involved in the production of pro-inflammatory mediators, such as leukotriene B4 and cysteinyl leukotrienes. Inhibition of 5-LO is a promising therapeutic strategy against inflammation. Chalcones and flavones are known to have a broad spectrum of biolo...

書誌詳細
出版年:	Molecular Simulation
第一著者:	2-s2.0-85081355590
フォーマット:	論文
言語:	English
出版事項:	Taylor and Francis Ltd. 2020
オンライン･アクセス:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85081355590&doi=10.1080%2f08927022.2020.1732961&partnerID=40&md5=97bf92718564f71310f070f465f5383e

類似資料

Flavonoids as dual inhibitors of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX): molecular docking and in vitro studies
著者:: 2-s2.0-85138682887
出版事項: (2022)

New halogenated chalcones as potential anti-inflammatory agents: A comprehensive In-Silico, In-Vitro, and In-Vivo study with ADME profiling
著者:: Iqtadar R.; Naz A.; Shah S.A.A.; Ali S.; Abdullah S.
出版事項: (2025)

Exploring diabetics II inhibitors based on benzodioxin derivatives, structure activity relationship, molecular docking and ADME property study
著者:: 2-s2.0-85186449128
出版事項: (2024)

The β-carboline analogs as a potent inhibitor for Alzheimer's Disease, molecular docking and dynamics simulation study
著者:: 2-s2.0-85173583185
出版事項: (2023)

Design, synthesis, in vitro evaluation, molecular docking and ADME properties studies of hybrid bis-coumarin with thiadiazole as a new inhibitor of Urease
著者:: 2-s2.0-85071689548
出版事項: (2019)

Syntheses, in vitro evaluation and molecular docking studies of 5-bromo-2-aryl benzimidazoles as α-glucosidase inhibitors
著者:: 2-s2.0-84979210899
出版事項: (2016)

Betamethasone Dipropionate Derivatization, Biotransformation, Molecular Docking, and ADME Analysis as Glucocorticoid Receptor
著者:: Rashid S.; Anjum S.; Ahmad A.; Nadeem R.; Ahmed M.; Shah S.A.A.; Abdullah M.; Zia K.; Ul-Haq Z.
出版事項: (2022)

Molecular dynamics simulations of glycyrrhizic acid aggregates as drug-carriers for paclitaxel
著者:: 2-s2.0-85073116171
出版事項: (2019)

Dynamic Molecular Simulation of Polyethylene/Organoclay Nanocomposites for Their Physical Properties and Foam Morphology
著者:: 2-s2.0-85156085168
出版事項: (2023)

Synthesis of novel indazole derivatives as inhibitors of diabetics II along with molecular docking and simulation study
著者:: 2-s2.0-85207018388
出版事項: (2025)

Synthesis, anti-diabetic and in silico QSAR analysis of flavone hydrazide Schiff base derivatives
著者:: 2-s2.0-85114800864
出版事項: (2022)

DFT, Fukui indices, and molecular dynamic simulation studies on corrosion inhibition characteristics: a review
著者:: Razali N.Z.K.; Wan Hassan W.N.S.; Sheikh Mohd Ghazali S.A.I.; Mohd Shotor S.N.; Dzulkifli N.N.
出版事項: (2024)

Analysis of static and dynamic motion accuracy for kinect-virtual Sensei system
著者:: 2-s2.0-84943419053
出版事項: (2015)

Insight into the Structure and Physicochemical Properties of Potent Chemokine Receptor 5 Inhibitors for the Discovery of Novel Alzheimer’s Disease Drugs
著者:: Yusof N.I.S.M.; Awaluddin N.A.; Fauzi F.M.
出版事項: (2023)

5-Bromo-2-aryl benzimidazole derivatives as non-cytotoxic potential dual inhibitors of α-glucosidase and urease enzymes
著者:: 2-s2.0-85016039331
出版事項: (2017)

Development of Water Quality Monitoring and Communication System using Raspberry Pi and LoRa
著者:: Bin Ghazali M.A.; Yasmin Abdul Rahman F.; Mohamad R.; Shahbudin S.; Suliman S.I.; Wati Mohamad Yusof Y.
出版事項: (2024)

LoRa-Based Ground Sensor Terminal for L-Band Satellite IoT Applications
著者:: Omar M.F.; Faiza Z.; Ali F.Z.; Roslee M.; Johari M.S.; Jusoh M.H.
出版事項: (2024)

LoRa-Based Ground Sensor Terminal for L-Band Satellite IoT Applications
著者:: Omar, 等
出版事項: (2024)

Virtual screening of bioactive anti-SARS-CoV natural products and identification of 3β,12-diacetoxyabieta-6,8,11,13-tetraene as a potential inhibitor of SARS-CoV-2 virus and its infection related pathways by MD simulation and network pharmacology
著者:: 2-s2.0-85148361295
出版事項: (2023)

Synthesis of novel flavone hydrazones: In-vitro evaluation of α-glucosidase inhibition, QSAR analysis and docking studies
著者:: 2-s2.0-84944728488
出版事項: (2015)

Multitargeted Molecular Docking and Dynamic Simulation Studies of Bioactive Compounds from Rosmarinus officinalis against Alzheimer’s Disease
著者:: 2-s2.0-85141550803
出版事項: (2022)

Molecular modeling and synthesis of novel benzimidazole-derived thiazolidinone bearing chalcone derivatives: A promising approach to develop potential anti-diabetic agents
著者:: 2-s2.0-85209950182
出版事項: (2024)

Molecular docking and molecular dynamic simulations of apoptosis proteins with potential anticancer compounds present in Clinacanthus nutans extract using gas chromatography–mass spectrometry
著者:: 2-s2.0-85135177285
出版事項: (2023)

Synthesis, biological evaluation, molecular docking and dynamic simulation of novel benzofuran derivatives as potential agents against Alzheimer's disease
著者:: 2-s2.0-85206074124
出版事項: (2025)

5-Nitroimidazole derivatives and their antimicrobial activity
著者:: 2-s2.0-84981745151
出版事項: (2016)

Investigation of the effect of Berkovich and Cube Corner indentations on the mechanical behavior of fused silica using molecular dynamics and finite element simulation
著者:: 2-s2.0-85121742138
出版事項: (2022)

Designing of promising medicinal scaffolds for Alzheimer's disease through enzyme inhibition, lead optimization, molecular docking and dynamic simulation approaches
著者:: 2-s2.0-85070881566
出版事項: (2019)

Synthesis, molecular docking, dynamic simulations, kinetic mechanism, cytotoxicity evaluation of N-(substituted-phenyl)-4-{(4-[(E)-3-phenyl-2-propenyl]-1-piperazinyl} butanamides as tyrosinase and melanin inhibitors: In vitro, in vivo and in silico approaches
著者:: 2-s2.0-85076239103
出版事項: (2020)

Development of a Novel CYP3A4 Classifier Model via Site of Metabolism (SOM)-based Molecular Docking, Multivariate Analysis and Molecular Dynamics of Known Substrates and Inhibitors
著者:: 2-s2.0-85179061037
出版事項: (2024)

Prospect of Anterior Gradient 2 homodimer inhibition via repurposing FDA-approved drugs using structure-based virtual screening
著者:: Ullah S.; Khan S.U.; Khan A.; Junaid M.; Rafiq H.; Htar T.T.; Zhao Y.; Shah S.A.A.; Wadood A.
出版事項: (2022)

HIGHER BINDING AFFINITIES OF HOPEA PHYTOCOMPOUNDS TO THE SARS-COV-2 MAIN PROTEASE THAN KNOWN ANTIVIRALS: MOLECULAR DOCKING AND DYNAMIC SIMULATION STUDY
著者:: Rozani, 等
出版事項: (2024)

Performance of Monofacial and Bifacial Solar System for 5MW grid-connected solar power plant with Fixed Tilt and Tracking: Design, Simulation and investigating the effect of temperature
著者:: Eidiani M.; Ghavami A.; Zeynal H.; Zakaria Z.
出版事項: (2024)

Virtual is Vital: The Strategies, Design, and Attendee Engagement of Virtual Events
著者:: 2-s2.0-85125917346
出版事項: (2021)

Exploration of synthetic multifunctional amides as new therapeutic agents for Alzheimer's disease through enzyme inhibition, chemoinformatic properties, molecular docking and dynamic simulation insights
著者:: 2-s2.0-85053905014
出版事項: (2018)

The 5M Approach in 21st Century Islamic Education
著者:: 2-s2.0-85217697177
出版事項: (2024)

Conserved gating elements in TRPC4 and TRPC5 channels
著者:: 2-s2.0-84880072077
出版事項: (2013)

Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxy-phenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
著者:: Abdul Rashid F.N.A.; Mohammat M.F.; Abdul Manan M.A.F.; Bakhtiar Afendy A.A.A.; Cordes D.B.; McKay A.P.
出版事項: (2024)

Conventional versus microwave assisted synthesis, molecular docking and enzyme inhibitory activities of new 3,4,5-trisubstituted-1,2,4-triazole analogues
著者:: 2-s2.0-85064722727
出版事項: (2018)

Synthesis and structural analysis of persuasive antibacterial agents and enzyme inhibitors derived from 5-(1-(4-Tosyl)piperidin-4-yl)-1,3,4-oxadiazol-2-thiol
著者:: 2-s2.0-85040132566
出版事項: (2018)

The Architecture of BaTiO3 Nanoparticles Synthesis via Temperature-Responsive for Improved Oil Recovery: A Molecular Dynamics Simulation and Core-Flooding Experimental Study
著者:: Sikiru S.; Soleimani H.; Rostami A.; Khodapanah L.
出版事項: (2025)