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<!DOCTYPE article PUBLIC "-//NLM//DTD JATS (Z39.96) Journal Publishing DTD v1.2d1 20170631//EN" "JATS-journalpublishing1.dtd">
      <Volume-Issue>Volume 13, Issue 4 </Volume-Issue>
      <Season>October - December, 2021</Season>
      <ArticleTitle>Molecular docking studies of curcumin with __ampersandsignbeta;-cyclodextrins to investigate pre-formulation perspective to overcome bioavailability problems</ArticleTitle>
          <FirstName>Ankit Kumar</FirstName>
          <FirstName>Sant Kumar</FirstName>
      <Abstract>__ampersandsignbeta;-cyclodextrin (__ampersandsignbeta;-CD) are used to form host-guest inclusion complexes with poorly water-soluble drugs in solution or a solid-state. Inclusion complexes formed with a host-guest molecule may exhibit improved chemical or biological properties compared to the host molecule alone. Such inclusion may improve aqueous solubility, dissolution, and bioavailability. However, the use of CDs is limited in some cases because it is very difficult, to identify the most suitable CD as a host complexing agent for a particular drug, to map whether the guest molecule is fitted partially or completely within the core of CD, and to predict the classic stereo-structure of the polymer and the forces between host and guest complex. Owing to low aqueous solubility of __ampersandsignbeta;-CD (18 g/L), its higher water-soluble analogs such as hydroxypropyl, sulfobutyl ether (SE), and methyl __ampersandsignbeta;-CDs are most favored for complexation. In the present study, highest water-soluble __ampersandsignbeta;-CD, i.e., (SE __ampersandsignbeta;-CD, solubility ~700g/L g/L) was selected for in silico complexation studies with curcumin, compared to conventional __ampersandsignbeta;-CD, using molecular docking studies. The results of in silico affinity and interaction studies showed that SE __ampersandsignbeta;-CD has more affinity for curcumin compared to __ampersandsignbeta;-CD in terms of MolDock score. This computational study may be used as a guide for pre-formulation prospective of curcumin to overcome the solubility and bioavailability problems associated.</Abstract>
      <Keywords>Curcumin, in silico complexation, molecular docking, sulfobutyl ether ?-cyclodextrin</Keywords>
        <Abstract>https://isfcppharmaspire.com/ubijournal-v1copy/journals/abstract.php?article_id=13769&amp;title=Molecular docking studies of curcumin with __ampersandsignbeta;-cyclodextrins to investigate pre-formulation perspective to overcome bioavailability problems</Abstract>
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