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Exploring the effectiveness of flavone derivatives for treating liver diseases: Utilizing DFT, molecular docking, and molecular dynamics techniques
Syeda Tasnim Quayum
, Nusrat Jahan Ikbal Esha
, Siam Siraji
,
Sanaa S.Al Abbad
,
Zainab H.A. Alsunaidi
, Mansour H. Almatarneh
, Shofiur Rahman
, Abdullah N. Alodhayb
, Khuloud A. Alibrahim
, Sarkar M.A. Kawsar
, Kabir M. Uddin
*
*
Corresponding author for this work
Chemistry Department
North South University
University of Jordan
King Saud University
Princess Nourah Bint Abdulrahman University
University of Chittagong
Research output
:
Contribution to journal
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Article
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peer-review
30
Scopus citations
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Dive into the research topics of 'Exploring the effectiveness of flavone derivatives for treating liver diseases: Utilizing DFT, molecular docking, and molecular dynamics techniques'. Together they form a unique fingerprint.
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Chemistry
Flavonoid
100%
Molecular Docking
100%
Density Functional Theory
100%
Molecular Dynamics
100%
Flavone
100%
Dissociation Constant (Kd)
40%
Taxifolin
40%
Molecular Dynamics Simulation
40%
Dihydroxyflavone
20%
Transcription Factor Nrf2
20%
Pharmacology, Toxicology and Pharmaceutical Science
Flavonoid
100%
Liver Disease
100%
Flavone
100%
Taxifolin
40%
Malignant Neoplasm
20%
Transcription Factor Nrf2
20%
Absorption-Distribution-Metabolism-Excretion Toxicity
20%
Flavanols
20%
Biochemistry, Genetics and Molecular Biology
Docking (Molecular)
100%
Flavonoid
100%
Dynamics
100%
Binding Affinity
40%
Taxifolin
40%
In Vivo Study
20%
ADMET
20%