Journal article Open Access

MOLECULAR DOCKING STUDIES OF SOME NOVEL N'-ARYLSUBSTITUTED PYRROLE ANALOGS

Shrinivas D. Joshi* S. R. Prem Kumar, and Venkatrao H. Kulkarni


MARC21 XML Export

<?xml version='1.0' encoding='UTF-8'?>
<record xmlns="http://www.loc.gov/MARC21/slim">
  <leader>00000nam##2200000uu#4500</leader>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">Molecular Docking, 4TZK, Pyrrole analogues. M.Tuberculosis.</subfield>
  </datafield>
  <controlfield tag="005">20200120165046.0</controlfield>
  <controlfield tag="001">3362132</controlfield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">1817539</subfield>
    <subfield code="z">md5:712c8240654a92ae2a1d8522e1aba01c</subfield>
    <subfield code="u">https://zenodo.org/record/3362132/files/190711.pdf</subfield>
  </datafield>
  <datafield tag="542" ind1=" " ind2=" ">
    <subfield code="l">open</subfield>
  </datafield>
  <datafield tag="260" ind1=" " ind2=" ">
    <subfield code="c">2019-08-07</subfield>
  </datafield>
  <datafield tag="909" ind1="C" ind2="O">
    <subfield code="p">openaire</subfield>
    <subfield code="p">user-iajpr</subfield>
    <subfield code="o">oai:zenodo.org:3362132</subfield>
  </datafield>
  <datafield tag="100" ind1=" " ind2=" ">
    <subfield code="u">Novel Drug Design and Discovery Laboratory, Department of Pharmaceutical Chemistry, S. E. T's College of Pharmacy, Sangolli Rayanna Nagar, Dharwad 580 002, Karnataka, India.</subfield>
    <subfield code="a">Shrinivas D. Joshi* S. R. Prem Kumar, and Venkatrao H. Kulkarni</subfield>
  </datafield>
  <datafield tag="245" ind1=" " ind2=" ">
    <subfield code="a">MOLECULAR DOCKING STUDIES OF SOME NOVEL N'-ARYLSUBSTITUTED PYRROLE ANALOGS</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">user-iajpr</subfield>
  </datafield>
  <datafield tag="540" ind1=" " ind2=" ">
    <subfield code="u">https://creativecommons.org/licenses/by/4.0/legalcode</subfield>
    <subfield code="a">Creative Commons Attribution 4.0 International</subfield>
  </datafield>
  <datafield tag="650" ind1="1" ind2="7">
    <subfield code="a">cc-by</subfield>
    <subfield code="2">opendefinition.org</subfield>
  </datafield>
  <datafield tag="520" ind1=" " ind2=" ">
    <subfield code="a">&lt;p&gt;In present work, Surflex docking has been carried out on a series (23 compounds bearing N&amp;rsquo;-arylsubstituted pyrrole heterocyclic molecules) of M. tuberculosis inhibitors. SYBYL-X 2.0 package (Tripos Inc., St. Louis, USA) was used for the study. Surflex-docking shown that the peptide connection between the aryl substitution and pyrroly moiety was significant to exhibit receptor and molecular interactions, and it was also found that the pattern of binding of established compounds is same as that of the ligand 1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide, which gives an idea in understanding the specific activity of compounds towards the receptor.&lt;/p&gt;</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="n">doi</subfield>
    <subfield code="i">isVersionOf</subfield>
    <subfield code="a">10.5281/zenodo.3362131</subfield>
  </datafield>
  <datafield tag="024" ind1=" " ind2=" ">
    <subfield code="a">10.5281/zenodo.3362132</subfield>
    <subfield code="2">doi</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">publication</subfield>
    <subfield code="b">article</subfield>
  </datafield>
</record>
44
55
views
downloads
All versions This version
Views 4444
Downloads 5555
Data volume 100.0 MB100.0 MB
Unique views 4444
Unique downloads 5151

Share

Cite as