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Title

COMPUTATIONAL STUDIES ON THE INTERACTIONS OF MAGNOLOL AND HONOKIOL WITH HUMAN SERUM ALBUMIN

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Abstract

 MAGNOLIA BALK EXTRACT (MBE) USED IN ASIAN TRADITIONAL MEDICINE FOR THE TREATMENT OF ANXIETY, SLEEPING DISORDERS, AND ALLERGIC DISEASES [1]. MAGNOLOL (MG) AND HONOKIOL (HK) ARE THE TWO PRIMERY ACTIVE PHENOLIC CONSTITUENT OF MBE. SINCE BIOACTIVE COMPONENTS OF MBE ARE POTENTIAL HERBAL DRUGS, IT WAS OF INTEREST TO OBTAIN INSIGHT IN TO THEIR BINDING AFFINITIES WITH THE CARRIER PROTEINS SUCH AS HUMAN SERUM ALBUMIN (HSA) USING EXPERIMENTAL TECHNIQUES AND MOLECULAR MODELING.HUMAN SERUM ALBUMIN (HSA) IS PLENTIFUL PLASMA PROTEIN THAT HAS A GREATLY TRANSPORT CAPACITY OF BLOOD PLASMA AND ABILITY OF BINDING FOR MANY OF SUBSTANCE. ITS SINGLE POLYPEPTIDE CHAIN CONSIST OF 585 AMINO ACIDS WITH THREE A-HELICAL DOMAINS (I, II, AND III) AND EACH DOMAIN CONTAINS TWO SUBDOMAIN A AND B. THREE BINDING REGIONS OF HSA ARE LOCATED IN SUBDOMAIN IIA, IIIA, AND IB THAT ARE WELL KNOWN SITE1, SITE2, AND SITE3 RESPECTIVELY [2].IN THE PRESENT WORK BINDING MODES, BINDING FREE ENERGIES AND INHIBITION CONSTANTS, (KI), BETWEEN OF HSA-MG AND HSA-HK SYSTEMS HAVE BEEN INVESTIGATED BY USING MOLECULAR DOCKING METHOD.MOLECULAR DOCKING RESULTS INDICATED THAT THE MAIN ACTIVE BINDING SITE FOR MG IS SITE1. ALSO THE MAIN ACTIVE BINDING SITE FOR HK IS SITE2. THE RESULTS ARE LISTED IN TABLE 1.TABLE1: AMINO ACID RESIDUES INVOLVED IN HSA-MG AND HSA-HK SYSTEMS INTERACTION WITH THE FREE BINDING ENERGY FOR THE BEST SELECTED DOCKING POSITIONS.

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    APA: Copy

    SHARIFI, TAYEBEH, FANI, NAJMEH, & GHAYEB, YOUSEF. (2014). COMPUTATIONAL STUDIES ON THE INTERACTIONS OF MAGNOLOL AND HONOKIOL WITH HUMAN SERUM ALBUMIN. IRANIAN SEMINAR OF ANALYTICAL CHEMISTRY. SID. https://sid.ir/paper/912852/en

    Vancouver: Copy

    SHARIFI TAYEBEH, FANI NAJMEH, GHAYEB YOUSEF. COMPUTATIONAL STUDIES ON THE INTERACTIONS OF MAGNOLOL AND HONOKIOL WITH HUMAN SERUM ALBUMIN. 2014. Available from: https://sid.ir/paper/912852/en

    IEEE: Copy

    TAYEBEH SHARIFI, NAJMEH FANI, and YOUSEF GHAYEB, “COMPUTATIONAL STUDIES ON THE INTERACTIONS OF MAGNOLOL AND HONOKIOL WITH HUMAN SERUM ALBUMIN,” presented at the IRANIAN SEMINAR OF ANALYTICAL CHEMISTRY. 2014, [Online]. Available: https://sid.ir/paper/912852/en

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