Cargando…

Molecular Dynamic Simulation Analysis on the Inclusion Complexation of Plumbagin with β-Cyclodextrin Derivatives in Aqueous Solution

Stable encapsulation of medically active compounds can lead to longer storage life and facilitate the slow-release mechanism. In this work, the dynamic and molecular interactions between plumbagin molecule with β-cyclodextrin (BCD) and its two derivatives, which are dimethyl-β-cyclodextrin (MBCD), a...

Descripción completa

Detalles Bibliográficos
Autores principales:	Jitapunkul, Kulpavee, Toochinda, Pisanu, Lawtrakul, Luckhana
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8622708/ https://www.ncbi.nlm.nih.gov/pubmed/34833875 http://dx.doi.org/10.3390/molecules26226784

Ejemplares similares

Host-Guest Interactions of Plumbagin with β-Cyclodextrin, Dimethyl-β-Cyclodextrin and Hydroxypropyl-β-Cyclodextrin: Semi-Empirical Quantum Mechanical PM6 and PM7 Methods
por: Srihakulung, Ornin, et al.
Publicado: (2018)

Structural Investigation of Beta-Cyclodextrin Complexes with Cannabidiol and Delta-9-Tetrahydrocannabinol in 1:1 and 2:1 Host-Guest Stoichiometry: Molecular Docking and Density Functional Calculations
por: Triamchaisri, Nat, et al.
Publicado: (2023)

Structural and Dynamics Perspectives on the Binding of Substrate and Inhibitors in Mycobacterium tuberculosis DHFR
por: Sittikornpaiboon, Pimonluck, et al.
Publicado: (2017)

Theoretical Investigation of the Enantioselective Complexations between pfDHFR and Cycloguanil Derivatives
por: Kulatee, Suriyawut, et al.
Publicado: (2017)

Influence of Ethanol as a Co-Solvent in Cyclodextrin Inclusion Complexation: A Molecular Dynamics Study
por: Boonyarattanakalin, Kanokthip, et al.
Publicado: (2015)

Predicting Complexation Thermodynamic Parameters of β-Cyclodextrin with Chiral Guests by Using Swarm Intelligence and Support Vector Machines
por: Prakasvudhisarn, Chakguy, et al.
Publicado: (2009)

Diffusivity of α-, β-, γ-cyclodextrin and the inclusion complex of β-cyclodextrin: Ibuprofen in aqueous solutions; A molecular dynamics simulation study
por: Erdős, Máté, et al.
Publicado: (2021)

Conductometric Studies of Formation the Inclusion Complexes of Phenolic Acids with β-Cyclodextrin and 2-HP-β-Cyclodextrin in Aqueous Solutions
por: Kinart, Zdzisław
Publicado: (2022)

Interaction of Native Cyclodextrins and Their Hydroxypropylated Derivatives with Carbamazepine in Aqueous Solution. Evaluation of Inclusion Complexes and Aggregates Formation
por: Rodrigues Sá Couto, André, et al.
Publicado: (2019)

Anomalous Properties of Cyclodextrins and Their Complexes in Aqueous Solutions
por: Loftsson, Thorsteinn, et al.
Publicado: (2023)

Studies on the Inclusion Complexes of Daidzein with β-Cyclodextrin and Derivatives
por: Li, Shujing, et al.
Publicado: (2017)

Preparation, Characterization and Molecular Dynamics Simulation of Rutin–Cyclodextrin Inclusion Complexes
por: Chang, Chaokang, et al.
Publicado: (2023)

Temperature Dependence of the Complexation Mechanism of Celecoxib and Hydroxyl-β-cyclodextrin in Aqueous Solution
por: Chiang, Po-Chiang, et al.
Publicado: (2014)

Inclusion Complexation of Organic Micropollutants with β-Cyclodextrin
por: Erdős, Máté, et al.
Publicado: (2020)

Stability of the Inclusion Complexes of Dodecanoic Acid with α-Cyclodextrin, β-Cyclodextrin and 2-HP-β-Cyclodextrin
por: Kinart, Zdzisław
Publicado: (2023)

Enhancement of apixaban's solubility and dissolution rate by inclusion complex (β-cyclodextrin and hydroxypropyl β-cyclodextrin) and computational calculation of their inclusion complexes
por: Salman, Zainab N., et al.
Publicado: (2023)

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

Crystal structure of the inclusion complex of cholesterol in β-cyclodextrin and molecular dynamics studies
por: Christoforides, Elias, et al.
Publicado: (2018)

Evaluation and Characterization of Curcumin-β-Cyclodextrin and Cyclodextrin-Based Nanosponge Inclusion Complexation
por: Mashaqbeh, Hadeia, et al.
Publicado: (2021)

Synthesis and Characterization of the Inclusion Complex of β-cyclodextrin and Azomethine
por: Sambasevam, Kavirajaa Pandian, et al.
Publicado: (2013)

Investigation of Inclusion Complex of Patchouli Alcohol with β-Cyclodextrin
por: Xu, Fangfang, et al.
Publicado: (2017)

NMR Study on the Inclusion Complexes of β-Cyclodextrin with Isoflavones
por: Zhao, Rui, et al.
Publicado: (2016)

Structural Studies of Piperine Inclusion Complexes in Native and Derivative β-Cyclodextrins
por: Christoforides, Elias, et al.
Publicado: (2022)

Sensitive fluorescent assay for copper(ii) determination in aqueous solution using quercetin–cyclodextrin inclusion
por: Yang, Shilong, et al.
Publicado: (2018)

A Comprehensive Study of Gemfibrozil Complexation with β-Cyclodextrins in Aqueous Solution Using Different Analytical Techniques
por: Zornoza, Arantza, et al.
Publicado: (2022)

Preparation and Evaluation of Silymarin β-cyclodextrin Molecular Inclusion Complexes
por: Ghosh, A, et al.
Publicado: (2011)

Dissolution behavior of β-cyclodextrin molecular inclusion complexes of aceclofenac
por: Dua, Kamal, et al.
Publicado: (2011)

In Vitro and In Vivo Evaluation of Oxatomide β-Cyclodextrin Inclusion Complex
por: Hashem, Fahima M., et al.
Publicado: (2013)

Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins
por: Kicuntod, Jintawee, et al.
Publicado: (2018)

Preparation and Characterization of Nanoparticle β-Cyclodextrin:Geraniol Inclusion Complexes
por: Hadian, Zahra, et al.
Publicado: (2018)

Comprehensive Characterization of Linalool-HP-β-Cyclodextrin Inclusion Complexes
por: Rodríguez-López, María Isabel, et al.
Publicado: (2020)

Formation of inclusion complex of enrofloxacin with 2-hydroxypropyl-β-cyclodextrin
por: Ding, Yili, et al.
Publicado: (2020)

Experimental and Theoretical Investigation of Inclusion Complexes of β-Cyclodextrin with Fingolimod
por: Garibyan, A. A., et al.
Publicado: (2023)

Inclusion complexes of 2-methoxyestradiol with dimethylated and permethylated β-cyclodextrins: models for cyclodextrin–steroid interaction
por: Caira, Mino R, et al.
Publicado: (2015)

Inclusions of Pesticides by β-Cyclodextrin in Solution and Solid State: Chlorpropham, Monuron, and Propanil
por: Dragone, Martina, et al.
Publicado: (2023)

Complexation between the Antioxidant Pterostilbene and Derivatized Cyclodextrins in the Solid State and in Aqueous Solution
por: Catenacci, Laura, et al.
Publicado: (2023)

Design and Evaluation of Orally Dispersible Tablets Containing Amlodipine Inclusion Complexes in Hydroxypropyl-β-cyclodextrin and Methyl-β-cyclodextrin
por: Novac, Marian, et al.
Publicado: (2022)

Photostability and antioxidant activity studies on the inclusion complexes of trans-polydatin with β-cyclodextrin and derivatives
por: Li, Shujing, et al.
Publicado: (2018)

Solid State Characterization of Domperidone: Hydroxypropyl-β-Cyclodextrin Inclusion Complex
por: Ghodke, D. S., et al.
Publicado: (2010)

Synthesis and Characterization of the Inclusion Complex of Dicationic Ionic Liquid and β-Cyclodextrin
por: Subramaniam, Puvaneswary, et al.
Publicado: (2010)

Cannot write session to /tmp/vufind_sessions/sess_s6cu4orqafmn8r0pk0umd6rbbt