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<ArticleSet>
  <Article>
    <Journal>
      <PublisherName>isfcppharmaspire</PublisherName>
      <JournalTitle>Pharmaspire</JournalTitle>
      <PISSN>C</PISSN>
      <EISSN>o</EISSN>
      <Volume-Issue/>
      <PartNumber/>
      <IssueTopic>Multidisciplinary</IssueTopic>
      <IssueLanguage>English</IssueLanguage>
      <Season/>
      <SpecialIssue>N</SpecialIssue>
      <SupplementaryIssue>N</SupplementaryIssue>
      <IssueOA>Y</IssueOA>
      <PubDate>
        <Year>-0001</Year>
        <Month>11</Month>
        <Day>30</Day>
      </PubDate>
      <ArticleType>Pharmaceutics</ArticleType>
      <ArticleTitle>In silico studies for the identification of potential thiazolidine-2,4-diones as α-amylase inhibitors</ArticleTitle>
      <SubTitle/>
      <ArticleLanguage>English</ArticleLanguage>
      <ArticleOA>Y</ArticleOA>
      <FirstPage>0</FirstPage>
      <LastPage>0</LastPage>
      <AuthorList>
        <Author>
          <FirstName>Vivek</FirstName>
          <LastName>Asati</LastName>
          <AuthorLanguage>English</AuthorLanguage>
          <Affiliation/>
          <CorrespondingAuthor>N</CorrespondingAuthor>
          <ORCID/>
        </Author>
      </AuthorList>
      <DOI/>
      <Abstract>Type 2 diabetes, which is characterized by hyperglycemia, is a chronic endocrine metabolic condition. As therefore, effective α-amylase inhibitors may have a major therapeutic impact in type 2 diabetic mellites. In the present study, virtual screening database preparation by R-group enumeration, virtual screening, docking study, and pharmacokinetics analysis was performed by taking α-amylase as a target. The results highlight the important binding features of novel thiazolidine-2,4-dione compounds as α-amylase inhibitors. R group enumeration study was performed for the generation of novel thiazolidine-2,4-dione derivatives (6250 compounds). These derivatives further proceed for virtual screening study by using Lipinski rule of 5, HTVS, SP, and XP screening filters. Only the top 4 compounds were selected after the XP docking process. The molecular docking study of VS hits showed compound 1 showed good binding score of -9.129 kcal/mole on α- amylase enzyme (PDB ID-3BAY). The present study may be used for the further development of potential compounds against type 2 diabetes.</Abstract>
      <AbstractLanguage>English</AbstractLanguage>
      <Keywords>?-amylase,Structure-based pharmacophore,Virtual screening,Thiazolidine-2,4- dione</Keywords>
      <URLs>
        <Abstract>https://isfcppharmaspire.com/ubijournal-v1copy/journals/abstract.php?article_id=14700&amp;title=In silico studies for the identification of potential thiazolidine-2,4-diones as α-amylase inhibitors</Abstract>
      </URLs>
      <References>
        <ReferencesarticleTitle>References</ReferencesarticleTitle>
        <ReferencesfirstPage>16</ReferencesfirstPage>
        <ReferenceslastPage>19</ReferenceslastPage>
        <References/>
      </References>
    </Journal>
  </Article>
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