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Information Journal Paper

Title

SUBSTRATE BINDING OF MALTOGENIC AMYLASE BASED ON MOLECULAR DOCKING SIMULATION

Pages

  281-281

Abstract

 Maltogenic amylases (MAase) are a group of cyclodextrin (CD) hydrolyzing enzymes which recently attract increasing amount of attention, due to its industrial applications in baking and confectionary industries and also its use in pharmaceuticals. We decided to investigate affinity of theGeobacillus sp. Gh6 MAase to various substrates by molecular docking simulation and compared with kinetic parameters. Molecular docking is a well-established computational technique which predicts the interaction energy between two molecules. Previous studies have shown a noticeable preference for a-, b - and g-CD compared to polymeric substrates (amylose and amylopectin) possibly due to steric interference. The Km for CD substrates increased in the order of a-CD>> b-CD>g-CD, and kcat/Km increased as a-CD> b -CD>g-CD, implying that increased substrate specificities are mainly attribute to kcat. In this study, binding of the enzyme to a-, b-, g-CD, amylose and amylopectin was studied using molecular docking and free energy of binding and dissociation constant was estimated. Interestingly, dissociation constant is highest for polymeric substrates compared to CDs and also a-CD>> b -CD>g-CD and order of the free energy of binding is amylopectin>amylose>>a-CD> b -CD>g-CD. All of the results showed that the affinity for substrates increased in the order of g-CD> b -CD>a-CD>>amylose>amylopectin.

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    APA: Copy

    SEPEHRI, SEPIDEH, ARAB, SEYED SHAHRIAR, & HASAN SAJEDI, REZA. (2014). SUBSTRATE BINDING OF MALTOGENIC AMYLASE BASED ON MOLECULAR DOCKING SIMULATION. MOLECULAR BIOLOGY RESEARCH COMMUNICATIONS, 3(SUPPL. (1)), 281-281. SID. https://sid.ir/paper/335961/en

    Vancouver: Copy

    SEPEHRI SEPIDEH, ARAB SEYED SHAHRIAR, HASAN SAJEDI REZA. SUBSTRATE BINDING OF MALTOGENIC AMYLASE BASED ON MOLECULAR DOCKING SIMULATION. MOLECULAR BIOLOGY RESEARCH COMMUNICATIONS[Internet]. 2014;3(SUPPL. (1)):281-281. Available from: https://sid.ir/paper/335961/en

    IEEE: Copy

    SEPIDEH SEPEHRI, SEYED SHAHRIAR ARAB, and REZA HASAN SAJEDI, “SUBSTRATE BINDING OF MALTOGENIC AMYLASE BASED ON MOLECULAR DOCKING SIMULATION,” MOLECULAR BIOLOGY RESEARCH COMMUNICATIONS, vol. 3, no. SUPPL. (1), pp. 281–281, 2014, [Online]. Available: https://sid.ir/paper/335961/en

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    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
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