Cargando…

Combined In Silico and Experimental Investigations of Resveratrol Encapsulation by Beta-Cyclodextrin

The results of the computational and the physicochemical studies of the encapsulation of resveratrol with β-cyclodextrin are presented here. At first, the molecular docking experiments predicted good binding. Several MD simulations and MM-PBSA experiments confirmed the reliable binding, showing opti...

Descripción completa

Detalles Bibliográficos
Autores principales:	Iskineyeva, Ainara, Fazylov, Serik, Bakirova, Ryszhan, Sarsenbekova, Akmaral, Pustolaikina, Irina, Seilkhanov, Olzhas, Alsfouk, Aisha A., Elkaeed, Eslam B., Eissa, Ibrahim H., Metwaly, Ahmed M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9269368/ https://www.ncbi.nlm.nih.gov/pubmed/35807628 http://dx.doi.org/10.3390/plants11131678

Ejemplares similares

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

Obtaining and Investigation of the β-Cyclodextrin Inclusion Complex with Vitamin D(3) Oil Solution
por: Bakirova, Ryszhan, et al.
Publicado: (2020)

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)

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

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)

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

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)

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)

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

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

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)

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)

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)

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)

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)

A New Anticancer Semisynthetic Theobromine Derivative Targeting EGFR Protein: CADDD Study
por: Eissa, Ibrahim H., 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)

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)

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)

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

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)

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)

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)

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)

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

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)

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)

Discovery of new nicotinamides as apoptotic VEGFR-2 inhibitors: virtual screening, synthesis, anti-proliferative, immunomodulatory, ADMET, toxicity, and molecular dynamic simulation studies
por: Yousef, Reda G., et al.
Publicado: (2022)

Molecular Docking and Dynamic Simulation Revealed the Potential Inhibitory Activity of Opioid Compounds Targeting the Main Protease of SARS-CoV-2
por: Mahmoud, Samaher S. A., 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)

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)

Inhibition of Acetylcholinesterase by Novel Lupinine Derivatives
por: Schepetkin, Igor A., et al.
Publicado: (2023)

Influence of Combined Therapy on Generation of Neutrophil Extracellular Traps in Patients with Cervical Cancer
por: Fomenko, Yuriy, et al.
Publicado: (2018)

In Vitro and In Silico Study on the Molecular Encapsulation of α-Tocopherol in a Large-Ring Cyclodextrin
por: Sangkhawasi, Mattanun, et al.
Publicado: (2023)

Characteristic of the Oxidative Stress in Blood of Patients in Dependence of Community-Acquired Pneumonia Severity
por: Muravlyova, Larissa, et al.
Publicado: (2016)

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)

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)

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

Encapsulation Efficiency and Functional Stability of Cinnamon Essential Oil in Modified β-cyclodextrins: In Vitro and In Silico Evidence
por: Wu, Kegang, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_4madgdk2srfvj46gg36vsdotd4