Theoretical investigation on insulin dimer - b - cyclodextrin interactions using docking and molecular dynamics simulation

QR Code

Theoretical investigation on insulin dimer - b - cyclodextrin interactions using docking and molecular dynamics simulation

In our study, molecular docking and molecular dynamics (MD) simulations were performed in order to explore the interactions between human insulin and β-cyclodextrin (β-CD). Molecular docking study was performed using the Autodock v4.2 program to determine the number of β-CD molecules that adhere to...

Full description

Bibliographic Details
Main Authors:	Muhammad, Erma Fatiha, Adnan, Rohana, Mohammad Latif, Muhammad Alif, Abdul Rahman, Mohd Basyaruddin
Format:	Article
Language:	English
Published:	Springer Netherlands 2016
Online Access:	http://psasir.upm.edu.my/id/eprint/53117/ http://psasir.upm.edu.my/id/eprint/53117/1/Theoretical%20investigation%20on%20insulin%20dimer%20-%20b%20-%20cyclodextrin%20interactions%20using%20docking%20and%20molecular%20dynamics%20simulation.pdf

Similar Items

Docking And Molecular Dynamics Simulation Studies Of Insulin-Β-Cyclodextrin Interactions
by: Muhammad, Erma Fatiha
Published: (2016)

Docking And Molecular Dynamics Simulation Studies Of Insulin-P- Cyclodextrin Interactions
by: Muhammad, Erma Fatiha
Published: (2016)

Antimicrobial activity, In silico analysis, and molecular docking studies of an iodide-bridged dimeric palladium complex: a comprehensive insight
by: Nur Anis Nabilah Mohd Fuzi,, et al.
Published: (2024)

Application of group-based QSAR and molecular docking in the design of insulin-like growth factor antagonists
by: Abdullahi, Abubakar Danjuma, et al.
Published: (2015)

Molecular docking
by: Abduallah Alsafi, Hassen Mohammed, et al.
Published: (2011)

Molecular Docking And Molecular Dynamics Of 3-O-Octanoylcatechin Interactions Against Aldose Reductase
by: Soib’, Shikin Faezah
Published: (2019)

Molecular docking studies on the interaction of anti-alzheimer compounds with amyloid beta peptides
by: Faujan, Nur Hana, et al.
Published: (2019)

Docking Of Protein With Flavonoids.
by: Ng, Pei Ling, et al.
Published: (2003)

Docking Of Different Enzymes With Quercetin
by: Ng, Pei Ling, et al.
Published: (2003)

Polypharmacological assessment of amoxicillin and its analogues against the bacterial DNA gyrase B using molecular docking, DFT and molecular dynamics simulation
by: Miah, Roney, et al.
Published: (2023)

Aggregation of Polysorbate 80 in room temperature ionic liquids investigated by molecular dynamics simulations
by: Mohammad Latif, Muhammad Alif, et al.
Published: (2018)

Investigations on the inclusion of betulinic acid into CD-MOF-1 performed by Quantum Mechanics calculations and molecular docking simulation
by: Hisamuddin, Ahmad ‘Afifu’d-din, et al.
Published: (2025)

The Interaction of Insulin with the Insulin Receptor in a Membrane Environment
by: Sabapathy, Thiruvarutchelvan
Published: (2018)

Deciphering the molecular landscape: in-silico analysis of cyclodextrin glycosyltransferase for enhanced enzyme functionality and cyclodextrin synthesis
by: Nik-Pa, Nik Ida Mardiana, et al.
Published: (2023)

Investigation of Galectin-3 interaction with N. meningitidis and its dimerization with laminin receptor
by: Alqahtani, Fulwah Yahya Saleh
Published: (2012)

Molecular docking study of the interactions between Plasmodium falciparum lactate dehydrogenase and 4-aminoquinoline hybrids
by: Nur Hanis Zakaria,, et al.
Published: (2020)

Exploring the interactions of therapeutic phytochemicals, flavokawain b, pinostrobin and 6-shogaol with human serum albumin: Spectroscopic and molecular docking investigations / Shevin Rizal Feroz
by: Shevin Rizal, Feroz
Published: (2017)

Hierarchical And Fragment Based Virtual Screening Approaches In The Discovery Of Potent Acetylcholinesterase Inhibitor
by: Muhammad, Erma Fatiha
Published: (2022)

Understanding molecular interaction between sulfadoxine and human serum albumin through spectroscopic and molecular docking methods / Jaslene Anne Francis
by: Jaslene Anne , Francis
Published: (2021)

Synthesis of thymidine phosphorylase inhibitor based on quinoxaline derivatives and their molecular docking study
by: Noor Barak, Almandil, et al.
Published: (2019)

Synthesis of thymidine phosphorylase inhibitor based on quinoxaline derivatives and their molecular docking study
by: Almandil, Noor Barak, et al.
Published: (2019)

Identification of insulin-mimetic phytochemicals from mas cotek (Ficus deltoidea) for treatment of type 2 diabetes via LC-MS/MS and molecular docking analyses
by: Eng, Shu Man, et al.
Published: (2023)

Latest developments in molecular docking: 2010-2011 in review
by: Yuriev, E., et al.
Published: (2013)

Synchronization transition in the double dimer model
by: Wilkins, Neil
Published: (2021)

Assessment of the protein interaction between coagulation factor XII and corn trypsin inhibitor by molecular docking and biochemical validation
by: Hamad, Badraldin K., et al.
Published: (2017)

Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II
by: Mulholland, Sam, et al.
Published: (2016)

Molecular docking studies of selected medicinal drugs as dengue virus-2 protease inhibitors
by: Rufaidah Othman,, et al.
Published: (2017)

Input and selected output files for simulations of sunset yellow dimers
by: Carter, Damien, et al.
Published: (2014)

Network pharmacology and molecular docking approaches of Astaxanthin (ATX) against atherosclerosis
by: Barizi, Anis Zuhaida Mamnun, et al.
Published: (2024)

Synthesis, neuraminidase inhibition assay and molecular docking of carvone derivatives
by: Abd Hamid, Shafida
Published: (2019)

Molecular docking of Cellobiose and Cellotetraose into an Endoglucanase from Fusarium oxysporum
by: Ibrahim Ali , Noorbatcha, et al.
Published: (2013)

Molecular docking of cellobiose and cellotetraose into an endoglucanase from fusarium oxysporum
by: Ibrahim Ali, Noorbatcha, et al.
Published: (2014)

Cholinesterase inhibition activity and molecular docking study of eugenol derivatives
by: Khairunisa Mohd Zamli,, et al.
Published: (2021)

Molecular Docking Of Andrographolide To Rennin, HIV-Protease And Tyrosine Enzymes.
by: Kamaluddin, Achsanuddin, et al.
Published: (2003)

Cytotoxicity, antimutagenicity and molecular docking of benzimidazole derivatives as anticancer agents
by: Azahar, Nurul Hafizan
Published: (2021)

Eigenstate thermalization hypothesis in quantum dimer models
by: Lan, Zhihao, et al.
Published: (2017)

Cytokinesis is controlled by monomer-dimer switching of survivin
by: Zahim, Duaa
Published: (2024)

Full hydrodynamic reversibility of the weak dimerization of vancomycin and elucidation of its interaction with VanS monomers at clinical concentration
by: Phillips-Jones, Mary K., et al.
Published: (2017)

Optimization of reaction parameters of cyclodextrin glycosyltransferase from bacillus licheniformis on cyclodextrin production
by: Rohaida, Che Man, et al.
Published: (2021)

Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study
by: Zaman, Khalid, et al.
Published: (2019)