figshare
Browse

Binding energy properties of BCL-2, JAK2 and Cyp2E1 with quercetin in docking and redocking in QPLD.

Download (5.5 kB)
dataset
posted on 2022-03-21, 17:37 authored by Arabinda Ghosh, Pranjal Sarmah, Harun Patel, Nobendu Mukerjee, Rajbardhan Mishra, Saad Alkahtani, Rajender S. Varma, Debabrat Baishya
<p>Binding energy properties of BCL-2, JAK2 and Cyp2E1 with quercetin in docking and redocking in QPLD.</p>

History

Related Materials

  1. 1.
    DOI - Is supplement to Nonlinear molecular dynamics of quercetin in Gynocardia odorata and Diospyros malabarica fruits: Its mechanistic role in hepatoprotection

Usage metrics

    PLOS ONE

    Categories

    Keywords

    nonlinear molecular dynamicsmolecular dynamics simulationmajor signaling proteinshplc analysis revealedgene expression profileeventually cause damagediv >< pcytochrome p450 enzymescritical physiological functionsaugmenting bilirubin content89 &# 17753 &# 17748 &# 177gynocardia odorata </diospyros malabarica </silico molecular dockingrevealed high bindinginduced hepatic injuryliver performs numberliver function analysiscauses liver damagequercetin (&# 916hepatotoxic wistar ratscytochrome p450 cyp2e1silico </wistar ratsinduced hepatotoxicityhigh affinityliver leadssubstantial rolestudy highlightssignificant rolesgpt activitypotent inhibitorpossible mechanismplausible affinitymmp2 expressedmmgbsa studiesmechanistic rolehuman systemfruit extractsfree radicalscarbon tetrachloridebetter stability78 kcal

    Licence

    CC BY 4.0

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC