Cargando…

Synthesis, antimicrobial activity, pharmacophore modeling and molecular docking studies of new pyrazole-dimedone hybrid architectures

BACKGROUND: Design and synthesis of pyrazole-dimedone derivatives were described by one-pot multicomponent reaction as new antimicrobial agents. These new molecular framework were synthesized in high yields with a broad substrate scope under benign conditions mediated by diethylamine (NHEt(2)). The...

Descripción completa

Detalles Bibliográficos
Autores principales:	Barakat, Assem, Al-Majid, Abdullah M., Al-Qahtany, Bander M., Ali, M., Teleb, Mohamed, Al-Agamy, Mohamed H., Naz, Sehrish, Ul-Haq, Zaheer
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2018
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5852137/ https://www.ncbi.nlm.nih.gov/pubmed/29541952 http://dx.doi.org/10.1186/s13065-018-0399-0

Ejemplares similares

Synthesis of Pyrazole-Thiobarbituric Acid Derivatives: Antimicrobial Activity and Docking Studies
por: Elshaier, Yaseen A. M. M., et al.
Publicado: (2016)

Tandem Aldol-Michael reactions in aqueous diethylamine medium: a greener and efficient approach to dimedone-barbituric acid derivatives
por: Barakat, Assem, et al.
Publicado: (2014)

Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners
por: Mabkhot, Yahia N., et al.
Publicado: (2015)

Synthesis, Anti-microbial and Molecular Docking Studies of Quinazolin-4(3H)-one Derivatives
por: Mabkhot, Yahia Nasser, et al.
Publicado: (2014)

3D-QSAR Studies on Barbituric Acid Derivatives as Urease Inhibitors and the Effect of Charges on the Quality of a Model
por: Ul-Haq, Zaheer, et al.
Publicado: (2016)

Synthesis, In-Vitro Antibacterial, Antifungal, and Molecular Modeling of Potent Anti-Microbial Agents with a Combined Pyrazole and Thiophene Pharmacophore
por: Mabkhot, Yahia Nasser, et al.
Publicado: (2015)

Synthesis of Thieno[2,3-b]thiophene Containing Bis-Heterocycles-Novel Pharmacophores
por: Mabkhot, Yahia Nasser, et al.
Publicado: (2013)

Facile and Promising Method for Michael Addition of Indole and Pyrrole to Electron-Deficient trans-β-Nitroolefins Catalyzed by a Hydrogen Bond Donor Catalyst Feist's Acid and Preliminary Study of Antimicrobial Activity
por: Al Majid, Abdullah M. A., et al.
Publicado: (2014)

Optimized spirooxindole-pyrazole hybrids targeting the p53-MDM2 interplay induce apoptosis and synergize with doxorubicin in A549 cells
por: Islam, Mohammad Shahidul, et al.
Publicado: (2023)

Synthesis and Biological Evaluation of 2-Aminobenzamide Derivatives as Antimicrobial Agents: Opening/Closing Pharmacophore Site
por: Mabkhot, Yahia N., et al.
Publicado: (2014)

Synthesis of Symmetrical and Non-symmetrical Diimines from Dimedone
por: Saeed, Bahjat A., et al.
Publicado: (2009)

Discovery of Potential Chemical Probe as Inhibitors of CXCL12 Using Ligand-Based Virtual Screening and Molecular Dynamic Simulation
por: Haider, Sajjad, et al.
Publicado: (2020)

Identification of dimedone-trapped sulfenylated proteins in plants under stress
por: Akter, Salma, et al.
Publicado: (2016)

Synthesis and Characterization of New Spirooxindoles Including Triazole and Benzimidazole Pharmacophores via [3+2] Cycloaddition Reaction: An MEDT Study of the Mechanism and Selectivity
por: Alshahrani, Saeed, et al.
Publicado: (2023)

Synthesis and dynamics studies of barbituric acid derivatives as urease inhibitors
por: Barakat, Assem, et al.
Publicado: (2015)

Complex Clonal Diversity of Staphylococcus aureus Nasal Colonization among Community Personnel, Healthcare Workers, and Clinical Students in the Eastern Province, Saudi Arabia
por: El-Mahdy, Taghrid S., et al.
Publicado: (2018)

A Facile and Convenient Synthesis of some Novel Hydrazones, Schiff’s Base and Pyrazoles Incorporating Thieno[2,3-b]thiophenes
por: Mabkhot, Yahia Nasser, et al.
Publicado: (2011)

Bimetallic Iron–Palladium Catalyst System as a Lewis-Acid for the Synthesis of Novel Pharmacophores Based Indole Scaffold as Anticancer Agents
por: Islam, Mohammad Shahidul, et al.
Publicado: (2021)

Synthesis of a New Class of Spirooxindole–Benzo[b]Thiophene-Based Molecules as Acetylcholinesterase Inhibitors
por: Barakat, Assem, et al.
Publicado: (2020)

PharmDock: a pharmacophore-based docking program
por: Hu, Bingjie, et al.
Publicado: (2014)

Construction of Spirooxindole Analogues Engrafted with Indole and Pyrazole Scaffolds as Acetylcholinesterase Inhibitors
por: Islam, Mohammad Shahidul, et al.
Publicado: (2021)

1,1’-(3-Methyl-4-phenylthieno[2,3-b]thiophene-2,5-diyl)diethanone as a Building Block in Heterocyclic Synthesis. Novel Synthesis of Some Pyrazole and Pyrimidine Derivatives
por: Mabkhot, Yahia Nasser, et al.
Publicado: (2011)

Pharmacophore-Based Similarity Scoring for DOCK
por: Jiang, Lingling, et al.
Publicado: (2014)

Search for the Pharmacophore of Histone Deacetylase Inhibitors Using Pharmacophore Query and Docking Study
por: Haji Agha Bozorgi, Atefeh, et al.
Publicado: (2014)

Computational and biological characterization of fusion proteins of two insecticidal proteins for control of insect pests
por: Javaid, Shaista, et al.
Publicado: (2018)

Design, Synthesis and In Vitro Evaluation of Spirooxindole-Based Phenylsulfonyl Moiety as a Candidate Anti-SAR-CoV-2 and MERS-CoV-2 with the Implementation of Combination Studies
por: Barakat, Assem, et al.
Publicado: (2022)

Crystallographic study, biological assessment and POM/Docking studies of pyrazoles-sulfonamide hybrids (PSH): Identification of a combined Antibacterial/Antiviral pharmacophore sites leading to in-silico screening the anti-Covid-19 activity
por: Chalkha, Mohammed, et al.
Publicado: (2022)

Docking based 3D-QSAR studies applied at the BRAF inhibitors to understand the binding mechanism
por: Mahmood, Uzma, et al.
Publicado: (2012)

In Silico Identification and Evaluation of Leads for the Simultaneous Inhibition of Protease and Helicase Activities of HCV NS3/4A Protease Using Complex Based Pharmacophore Mapping and Virtual Screening
por: Wadood, Abdul, et al.
Publicado: (2014)

Cheminformatics-Based Discovery of Potential Chemical Probe Inhibitors of Omicron Spike Protein
por: Khan, Salman Ali, et al.
Publicado: (2022)

Identification of Human Leukotriene A4 Hydrolase Inhibitors Using Structure-Based Pharmacophore Modeling and Molecular Docking
por: Audat, Suaad A., et al.
Publicado: (2020)

Deciphering the Impact of Mutations on the Binding Efficacy of SARS-CoV-2 Omicron and Delta Variants With Human ACE2 Receptor
por: Khan, Alamgir, et al.
Publicado: (2022)

Combining docking with pharmacophore filtering for improved virtual screening
por: Peach, Megan L, et al.
Publicado: (2009)

Benzo[g]quinazolines as antifungal against candidiasis: Screening, molecular docking, and QSAR investigations
por: Abuelizz, Hatem A., et al.
Publicado: (2023)

Coumarin derivatives as acetyl- and butyrylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study
por: Abu-Aisheh, Marwa N., et al.
Publicado: (2019)

Copper-Catalyzed Syntheses of Pyrene-Pyrazole Pharmacophores and Structure Activity Studies for Tubulin Polymerization
por: Sar, Dinabandhu, et al.
Publicado: (2018)

Synthesis and characterisation of thiobarbituric acid enamine derivatives, and evaluation of their α-glucosidase inhibitory and anti-glycation activity
por: Ali, M., et al.
Publicado: (2020)

Design and Synthesis of Novel Imidazole Derivatives Possessing Triazole Pharmacophore with Potent Anticancer Activity, and In Silico ADMET with GSK-3β Molecular Docking Investigations
por: Al-blewi, Fawzia, et al.
Publicado: (2021)

New Diethyl Ammonium Salt of Thiobarbituric Acid Derivative: Synthesis, Molecular Structure Investigations and Docking Studies
por: Barakat, Assem, et al.
Publicado: (2015)

Docking Studies of Phthalimide Pharmacophore as a Sodium Channel Blocker
por: Iman, Maryam, et al.
Publicado: (2013)

Cannot write session to /tmp/vufind_sessions/sess_1hfmiutugihcusgas01gq7vsqs