Cargando…

Discovery of new nicotinamides as apoptotic VEGFR-2 inhibitors: virtual screening, synthesis, anti-proliferative, immunomodulatory, ADMET, toxicity, and molecular dynamic simulation studies

A library of modified VEGFR-2 inhibitors was designed as VEGFR-2 inhibitors. Virtual screening was conducted for the hypothetical library using in silico docking, ADMET, and toxicity studies. Four compounds exhibited high in silico affinity against VEGFR-2 and an acceptable range of the drug-likenes...

Descripción completa

Detalles Bibliográficos
Autores principales:	Yousef, Reda G., Ibrahim, Albaraa, Khalifa, Mohamed M., Eldehna, Wagdy M., Gobaara, Ibraheem M. M., Mehany, Ahmed B. M., Elkaeed, Eslam B., Alsfouk, Aisha A., Metwaly, Ahmed M., Eissa, Ibrahim H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Taylor & Francis 2022
Materias:	Research Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9116259/ https://www.ncbi.nlm.nih.gov/pubmed/35577416 http://dx.doi.org/10.1080/14756366.2022.2070744

Ejemplares similares

Design, Synthesis, In Silico and In Vitro Studies of New Immunomodulatory Anticancer Nicotinamide Derivatives Targeting VEGFR-2
por: Yousef, Reda G., et al.
Publicado: (2022)

Anti-cancer and immunomodulatory evaluation of new nicotinamide derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: in vitro and in silico studies
por: Yousef, Reda G., et al.
Publicado: (2022)

Discovery of New VEGFR-2 Inhibitors: Design, Synthesis, Anti-Proliferative Evaluation, Docking, and MD Simulation Studies
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

Design, Synthesis, Docking, DFT, MD Simulation Studies of a New Nicotinamide-Based Derivative: In Vitro Anticancer and VEGFR-2 Inhibitory Effects
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

New quinoline and isatin derivatives as apoptotic VEGFR-2 inhibitors: design, synthesis, anti-proliferative activity, docking, ADMET, toxicity, and MD simulation studies
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking, ADMET, Toxicity and DFT Studies
por: Alesawy, Mohamed S., et al.
Publicado: (2021)

Design and synthesis of thiazolidine-2,4-diones hybrids with 1,2-dihydroquinolones and 2-oxindoles as potential VEGFR-2 inhibitors: in-vitro anticancer evaluation and in-silico studies
por: Taghour, Mohammed S., et al.
Publicado: (2022)

Design, synthesis, anti-proliferative evaluation, docking, and MD simulations studies of new thiazolidine-2,4-diones targeting VEGFR-2 and apoptosis pathway
por: Taghour, Mohammed S., et al.
Publicado: (2022)

A Theobromine Derivative with Anticancer Properties Targeting VEGFR‐2: Semisynthesis, in silico and in vitro Studies
por: Eissa, Ibrahim H., et al.
Publicado: (2023)

Modified Benzoxazole-Based VEGFR-2 Inhibitors and Apoptosis Inducers: Design, Synthesis, and Anti-Proliferative Evaluation
por: Elwan, Alaa, et al.
Publicado: (2022)

(E)-N-(3-(1-(2-(4-(2,2,2-Trifluoroacetamido)benzoyl)hydrazono)ethyl)phenyl)nicotinamide: A Novel Pyridine Derivative for Inhibiting Vascular Endothelial Growth Factor Receptor-2: Synthesis, Computational, and Anticancer Studies
por: Yousef, Reda G., et al.
Publicado: (2022)

In Silico Exploration of Potential Natural Inhibitors against SARS-Cov-2 nsp10
por: Eissa, Ibrahim H., et al.
Publicado: (2021)

Computer-assisted drug discovery (CADD) of an anti-cancer derivative of the theobromine alkaloid inhibiting VEGFR-2
por: Eissa, Ibrahim H., et al.
Publicado: (2023)

Identification of new theobromine-based derivatives as potent VEGFR-2 inhibitors: design, semi-synthesis, biological evaluation, and in silico studies
por: Eissa, Ibrahim H., et al.
Publicado: (2023)

Design, synthesis, docking, MD simulations, and anti-proliferative evaluation of thieno[2,3-d]pyrimidine derivatives as new EGFR inhibitors
por: Sobh, Eman A., et al.
Publicado: (2023)

The Discovery of Potential SARS-CoV-2 Natural Inhibitors among 4924 African Metabolites Targeting the Papain-like Protease: A Multi-Phase In Silico Approach
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

Discovery of Potential SARS-CoV-2 Papain-like Protease Natural Inhibitors Employing a Multi-Phase In Silico Approach
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

Design, synthesis, anti-proliferative evaluation, docking, and MD simulation studies of new thieno[2,3-d]pyrimidines targeting VEGFR-2
por: El-Metwally, Souad A., et al.
Publicado: (2023)

A New Anticancer Semisynthetic Theobromine Derivative Targeting EGFR Protein: CADDD Study
por: Eissa, Ibrahim H., et al.
Publicado: (2023)

A Multistage In Silico Study of Natural Potential Inhibitors Targeting SARS-CoV-2 Main Protease
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

New Anticancer Theobromine Derivative Targeting EGFR(WT) and EGFR(T790M): Design, Semi-Synthesis, In Silico, and In Vitro Anticancer Studies
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

Benzoxazole derivatives as new VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, in silico studies, and antiproliferative evaluation
por: Taghour, Mohammed S., et al.
Publicado: (2022)

The Computational Preventive Potential of the Rare Flavonoid, Patuletin, Isolated from Tagetes patula, against SARS-CoV-2
por: Metwaly, Ahmed M., et al.
Publicado: (2022)

Anticancer derivative of the natural alkaloid, theobromine, inhibiting EGFR protein: Computer-aided drug discovery approach
por: Eissa, Ibrahim H., et al.
Publicado: (2023)

Computer-Assisted Drug Discovery of a Novel Theobromine Derivative as an EGFR Protein-Targeted Apoptosis Inducer
por: Eissa, Ibrahim H, et al.
Publicado: (2023)

Synthesis, biological evaluation and computer-aided discovery of new thiazolidine-2,4-dione derivatives as potential antitumor VEGFR-2 inhibitors
por: Elkady, Hazem, et al.
Publicado: (2023)

Combined In Silico and Experimental Investigations of Resveratrol Encapsulation by Beta-Cyclodextrin
por: Iskineyeva, Ainara, et al.
Publicado: (2022)

New [1,2,4]triazolo[4,3-c]quinazolines as intercalative Topo II inhibitors: Design, synthesis, biological evaluation, and in silico studies
por: Gaber, Ahmed A., et al.
Publicado: (2023)

Ligand and Structure-Based In Silico Determination of the Most Promising SARS-CoV-2 nsp16-nsp10 2′-o-Methyltransferase Complex Inhibitors among 3009 FDA Approved Drugs
por: Eissa, Ibrahim H., et al.
Publicado: (2022)

Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

Design, synthesis, in silico studies, and biological evaluation of novel pyrimidine-5-carbonitrile derivatives as potential anti-proliferative agents, VEGFR-2 inhibitors and apoptotic inducers
por: Saleh, Abdulrahman M., et al.
Publicado: (2023)

New benzoxazole derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, anti-proliferative evaluation, flowcytometric analysis, and in silico studies
por: Elkady, Hazem, et al.
Publicado: (2021)

Isolation and In Silico SARS-CoV-2 Main Protease Inhibition Potential of Jusan Coumarin, a New Dicoumarin from Artemisia glauca
por: Suleimen, Yerlan M., et al.
Publicado: (2022)

Discovery of new quinolines as potent colchicine binding site inhibitors: design, synthesis, docking studies, and anti-proliferative evaluation
por: Hagras, Mohamed, et al.
Publicado: (2021)

Isolation and In Silico Anti-SARS-CoV-2 Papain-Like Protease Potentialities of Two Rare 2-Phenoxychromone Derivatives from Artemisia spp.
por: Suleimen, Yerlan M., et al.
Publicado: (2022)

Combined Computational and Experimental Studies of Anabasine Encapsulation by Beta-Cyclodextrin
por: Muldakhmetov, Zeinolla, et al.
Publicado: (2022)

Design, synthesis, docking study and anticancer evaluation of new trimethoxyphenyl pyridine derivatives as tubulin inhibitors and apoptosis inducers
por: Hagras, Mohamed, et al.
Publicado: (2021)

In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (M(pro))
por: Alesawy, Mohamed S., et al.
Publicado: (2021)

Isolation and In Silico Inhibitory Potential against SARS-CoV-2 RNA Polymerase of the Rare Kaempferol 3-O-(6″-O-acetyl)-Glucoside from Calligonum tetrapterum
por: Suleimen, Yerlan M., et al.
Publicado: (2022)

Jusanin, a New Flavonoid from Artemisia commutata with an In Silico Inhibitory Potential against the SARS-CoV-2 Main Protease
por: Suleimen, Yerlan M., et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_m9gb8424027bv4fibsmeelbq9h