Cargando…

Design, synthesis, and antitumor efficacy of novel 5-deazaflavin derivatives backed by kinase screening, docking, and ADME studies

Novel 5-deazaflavins were designed as potential anticancer candidates. Compounds 4j, 4k, 5b, 5i, and 9f demonstrated high cytotoxicity against MCF-7 cell line with IC(50) of 0.5–190nM. Compounds 8c and 9g showed preferential activity against Hela cells (IC(50): 1.69 and 1.52 μM respectively). Howeve...

Descripción completa

Detalles Bibliográficos
Autores principales:	Bedewy, Walaa A., Mohamed, Mosaad S., Abdelhameed, Ahmed M., Elsawy, Mohamed A., Al-Muhur, Mohammed, Ashida, Noriyuki, Abdalla, Ashraf N, Elwaie, Tamer A., Nagamatsu, Tomohisa, Ali, Hamed I.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Taylor & Francis 2023
Materias:	Research Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10286681/ https://www.ncbi.nlm.nih.gov/pubmed/37341389 http://dx.doi.org/10.1080/14756366.2023.2220570

Ejemplares similares

Design, Synthesis, Antitumor Activity and Molecular Docking Study of Novel 5-Deazaalloxazine Analogs
por: Mahmoud, Sawsan, et al.
Publicado: (2020)

Efficient Microwave-Assisted Synthesis of 5-Deazaflavine Derivatives
por: Trilleras, Jorge, et al.
Publicado: (2010)

Deazaflavin reductive photocatalysis involves excited semiquinone radicals
por: Graml, Andreas, et al.
Publicado: (2020)

Introducing an Artificial Deazaflavin Cofactor in Escherichia coli and Saccharomyces cerevisiae
por: Lee, Misun, et al.
Publicado: (2022)

5-Deazaflavin derivatives as inhibitors of p53 ubiquitination by HDM2()
por: Dickens, Michael P., et al.
Publicado: (2013)

Biosynthetic Versatility and Coordinated Action of 5′-Deoxyadenosyl Radicals in Deazaflavin Biosynthesis
por: Philmus, Benjamin, et al.
Publicado: (2015)

Design of screen-printed potentiometric platform for sensitive determination of mirabegron in spiked human plasma; molecular docking and transducer optimization
por: Mouhamed, Aya A., et al.
Publicado: (2023)

3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents
por: Daoui, Ossama, et al.
Publicado: (2022)

A Tailor-Made Deazaflavin-Mediated Recycling System for Artificial Nicotinamide Cofactor Biomimetics
por: Drenth, Jeroen, et al.
Publicado: (2021)

Synthesis, Molecular Docking, In Silico ADME Predictions, and Toxicity Studies of N-Substituted-5-(4-Chloroquinolin-2-yl)-1,3,4-Thiadiazol-2-Amine Derivatives as COVID-19 Inhibitors
por: Hanaa S. Mohamed, et al.
Publicado: (2021)

Synthesis, Biological Evaluation and Docking Analysis of Some Novel Quinazolin Derivatives as Antitumor Agents
por: El-serwy, Walaa S., et al.
Publicado: (2016)

Biological Evaluation, Molecular Docking Analyses, and ADME Profiling of Certain New Quinazolinones as Anti-colorectal Agents
por: El-Sayed, Nahed N. E., et al.
Publicado: (2022)

Discovery of Some Heterocyclic Molecules as Bone Morphogenetic Protein 2 (BMP-2)-Inducible Kinase Inhibitors: Virtual Screening, ADME Properties, and Molecular Docking Simulations
por: Belal, Amany, et al.
Publicado: (2022)

Structure of Ddn, the Deazaflavin-Dependent Nitroreductase from Mycobacterium tuberculosis Involved in Bioreductive Activation of PA-824
por: Cellitti, Susan E., et al.
Publicado: (2012)

Structure of Ddn, the Deazaflavin-Dependent Nitroreductase from Mycobacterium tuberculosis Involved in Bioreductive Activation of PA-824
por: Cellitti, Susan E., et al.
Publicado: (2013)

Betamethasone Dipropionate Derivatization, Biotransformation, Molecular Docking, and ADME Analysis as Glucocorticoid Receptor
por: Rashid, Sana, et al.
Publicado: (2022)

Purine and Purine Isostere Derivatives of Ferrocene: An Evaluation of ADME, Antitumor and Electrochemical Properties
por: Rep, Valentina, et al.
Publicado: (2020)

Bioactive secondary metabolites from marine Actinomyces sp. AW6 with an evaluation of ADME-related physicochemical properties
por: Agour, Mohamed A., et al.
Publicado: (2022)

Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations
por: Chtita, Samir, et al.
Publicado: (2022)

Synthesis, antioxidant activity, molecular docking and ADME studies of novel pyrrole-benzimidazole derivatives
por: ZENGİN KARADAYI, Fikriye, et al.
Publicado: (2021)

In vitro antitumor activity, molecular dynamics simulation, DFT study, ADME prediction, and Eg5 binding of enastron analogues
por: Bouzina, Abdeslem, et al.
Publicado: (2023)

QSAR, ADME-Tox, molecular docking and molecular dynamics simulations of novel selective glycine transporter type 1 inhibitors with memory enhancing properties
por: El fadili, Mohamed, et al.
Publicado: (2023)

2-pyrazoline derivatives in neuropharmacology: Synthesis, ADME prediction, molecular docking and in vivo biological evaluation
por: Upadhyay, Savita, et al.
Publicado: (2017)

Metabolic profiling, ADME pharmacokinetics, molecular docking studies and antibacterial potential of Phyllantus muellerianus leaves
por: Obuotor, Tolulope M., et al.
Publicado: (2021)

In Vivo Pharmacodynamics of Calophyllum soulattri as Antiobesity with In Silico Molecular Docking and ADME/Pharmacokinetic Prediction Studies
por: Fajriaty, Inarah, et al.
Publicado: (2023)

Molecular Insight into Stereoselective ADME Characteristics of C20-24 Epimeric Epoxides of Protopanaxadiol by Docking Analysis
por: Guo, Wenna, et al.
Publicado: (2020)

Molecular Docking and ADME-TOX Profiling of Moringa oleifera Constituents against SARS-CoV-2
por: Souza, Hellen Cris Araújo, et al.
Publicado: (2023)

ADME-Space: a new tool for medicinal chemists to explore ADME properties
por: Bocci, Giovanni, et al.
Publicado: (2017)

Tuning Deazaflavins Towards Highly Potent Reducing Photocatalysts Guided by Mechanistic Understanding – Enhancement of the Key Step by the Internal Heavy Atom Effect
por: Pavlovska, Tetiana, et al.
Publicado: (2022)

Synthesis and Acaricidal Activities of Scopoletin Phenolic Ether Derivatives: QSAR, Molecular Docking Study and in Silico ADME Predictions
por: Luo, Jinxiang, et al.
Publicado: (2018)

Design and synthesis of coumarin-triazole hybrids: biocompatible anti-diabetic agents, in silico molecular docking and ADME screening
por: Channa Basappa, Vagish, et al.
Publicado: (2020)

Flavones scaffold of Chromolaena odorata as a potential xanthine oxidase inhibitor: Induced Fit Docking and ADME studies
por: Kikiowo, Babatomiwa, et al.
Publicado: (2020)

Synthesis, in silico ADME, molecular docking and in vitro cytotoxicity evaluation of stilbene linked 1,2,3-triazoles
por: Das, Arnika, et al.
Publicado: (2021)

Exploring Novel Pyridine Carboxamide Derivatives as Urease Inhibitors: Synthesis, Molecular Docking, Kinetic Studies and ADME Profile
por: Naseer, Ayesha, et al.
Publicado: (2022)

In Vitro, Molecular Docking and In Silico ADME/Tox Studies of Emodin and Chrysophanol against Human Colorectal and Cervical Carcinoma
por: Ahmad, Wasim, et al.
Publicado: (2022)

Synthesis, Biological Activity, ADME and Molecular Docking Studies of Novel Ursolic Acid Derivatives as Potent Anticancer Agents
por: Michalak, Olga, et al.
Publicado: (2023)

New Pyrimidine-5-Carbonitriles as COX-2 Inhibitors: Design, Synthesis, Anticancer Screening, Molecular Docking, and In Silico ADME Profile Studies
por: AL-Ghulikah, Hanan A., et al.
Publicado: (2022)

Key factors influencing ADME properties of therapeutic proteins: A need for ADME characterization in drug discovery and development
por: Tibbitts, Jay, et al.
Publicado: (2015)

Correlating Calmodulin Landscapes with Chemical Catalysis in Neuronal Nitric Oxide Synthase using Time-Resolved FRET and a 5-Deazaflavin Thermodynamic Trap
por: Hedison, Tobias M., et al.
Publicado: (2016)

Structurebased drug design and AutoDock study of potential protein tyrosine kinase inhibitors.
por: Ali, Hamed Ismail, et al.
Publicado: (2011)

Cannot write session to /tmp/vufind_sessions/sess_u6ffldig8lvhb8fgpii6782177