172 lines
16 KiB
XML
172 lines
16 KiB
XML
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<mods:title id="F6F9A9CE7B89D9749FA1621A9E558359">Biotransformation of papaverine and in silico docking studies of the metabolites on human phosphodiesterase 10 a</mods:title>
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<mods:namePart id="DA196E1CA64F12D71FCBC9714E853F2D">Eliwa, Duaa</mods:namePart>
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<mods:affiliation id="1B715422D7CE3F54558DA32CCAF8F478">* & National Center for Natural Products Research, School of Pharmacy, The University of Mississippi, MS, 38677, USA & Department of Pharmacognosy, Faculty of Pharmacy, Tanta University, Tanta, 31527, Egypt</mods:affiliation>
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<mods:namePart id="ECB190114D85752C71C9B98FED1504A1">Albadry, Mohamed A.</mods:namePart>
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<mods:affiliation id="A5C0AC52C37A78BDFC99588DF7289762">* & National Center for Natural Products Research, School of Pharmacy, The University of Mississippi, MS, 38677, USA</mods:affiliation>
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<mods:namePart id="887C7572FA0BE76414C4EFBFF9098A2B">Ibrahim, Abdel-Rahim S.</mods:namePart>
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<mods:affiliation id="F8880727B31F161C9754A825DCC8B7E9">Department of Pharmacognosy, Faculty of Pharmacy, Tanta University, Tanta, 31527, Egypt</mods:affiliation>
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<mods:namePart id="61B7A39BD36137C1B46ACEFCC8F8CC01">Kabbash, Amal</mods:namePart>
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<mods:affiliation id="D80F5454D721F1811244E49DD34BF11B">Department of Pharmacognosy, Faculty of Pharmacy, Tanta University, Tanta, 31527, Egypt</mods:affiliation>
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<mods:namePart id="646B0881FB6E84DCEB9E6E949DB44950">Meepagala, Kumudini</mods:namePart>
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<mods:affiliation id="DA0AAB6B790B71C25583B6F57116DC24">USDA-ARS, Natural Products Utilization Research Unit, University, MS, USA</mods:affiliation>
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<mods:namePart id="1B28387C4DF628B54A4EC959D542C767">Khan, Ikhlas A.</mods:namePart>
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<mods:affiliation id="25155B4A70F0BB3D71B3BE560DDA5A92">* & National Center for Natural Products Research, School of Pharmacy, The University of Mississippi, MS, 38677, USA & * & Division of Pharmacognosy, Department of Biomolecular Sciences, School of Pharmacy, University of Mississippi, MS, 38677, USA</mods:affiliation>
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<mods:namePart id="62E7516984F5F280C4B5CC6C5026FBF6">El-Aasr, Mona</mods:namePart>
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<mods:affiliation id="A05252BD6F8C77BD477EE6F8D22DECB8">Department of Pharmacognosy, Faculty of Pharmacy, Tanta University, Tanta, 31527, Egypt</mods:affiliation>
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<mods:namePart id="99A4E2EAD37C89CEC81F9F845A26D011">Ross, Samir A.</mods:namePart>
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<mods:affiliation id="2802B84A07FF106981026C3DD2DA8A15">* & National Center for Natural Products Research, School of Pharmacy, The University of Mississippi, MS, 38677, USA & * & Division of Pharmacognosy, Department of Biomolecular Sciences, School of Pharmacy, University of Mississippi, MS, 38677, USA</mods:affiliation>
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<mods:date id="3902D4CF4E5668352B8A5DC16C8E88F0">2021</mods:date>
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<treatment id="03D387DCFFABFFC7CF0A8CAD473BCAF7" ID-DOI="http://doi.org/10.5281/zenodo.8302180" ID-GBIF-Taxon="212651918" ID-Zenodo-Dep="8302180" LSID="urn:lsid:plazi:treatment:03D387DCFFABFFC7CF0A8CAD473BCAF7" httpUri="http://treatment.plazi.org/id/03D387DCFFABFFC7CF0A8CAD473BCAF7" lastPageId="6" lastPageNumber="7" pageId="5" pageNumber="6">
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<subSubSection id="C3606541FFABFFC4CF0A8CAD414FCBEB" box="[818,1398,1683,1703]" pageId="5" pageNumber="6" type="nomenclature">
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<paragraph id="8BC536CAFFABFFC4CF0A8CAD414FCBEB" blockId="5.[818,1398,1683,1703]" box="[818,1398,1683,1703]" pageId="5" pageNumber="6">
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<emphasis id="B90EEAD8FFABFFC4CF0A8CAD414FCBEB" bold="true" box="[818,1398,1683,1703]" italics="true" pageId="5" pageNumber="6">
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3.5. Microbial transformation using
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<taxonomicName id="4C7A4D49FFABFFC4C8458CAA4136CBEB" ID-CoL="HC7Z" authority="NRRL" authorityName="NRRL" box="[1149,1295,1683,1703]" class="Eurotiomycetes" family="Aspergillaceae" genus="Aspergillus" higherTaxonomySource="CoL" kingdom="Fungi" order="Eurotiales" pageId="5" pageNumber="6" phylum="Ascomycota" rank="species" species="niger">Aspergillus niger</taxonomicName>
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NRRL 322
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</emphasis>
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</paragraph>
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</subSubSection>
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<subSubSection id="C3606541FFABFFC7CF698CF2473BCAF7" lastPageId="6" lastPageNumber="7" pageId="5" pageNumber="6" type="description">
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<paragraph id="8BC536CAFFABFFC7CF698CF245F9CA58" blockId="5.[818,1488,1739,1982]" lastBlockId="6.[100,770,1793,1981]" lastPageId="6" lastPageNumber="7" pageId="5" pageNumber="6">
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Biotransformation of papaverine using
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||
<taxonomicName id="4C7A4D49FFABFFC4C8F68CF2415BCB92" authority="NRRL" authorityName="NRRL" box="[1230,1378,1739,1758]" class="Eurotiomycetes" family="Aspergillaceae" genus="Aspergillus" higherTaxonomySource="CoL" kingdom="Fungi" order="Eurotiales" pageId="5" pageNumber="6" phylum="Ascomycota" rank="species" species="niger">
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<emphasis id="B90EEAD8FFABFFC4C8F68CF2415BCB92" bold="true" box="[1230,1378,1739,1758]" italics="true" pageId="5" pageNumber="6">Aspergillus niger</emphasis>
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</taxonomicName>
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||
NRRL 322 afforded to two metabolites (2 and 3). The residue (1 gm) was dissolved in 50 ml of methanol/dichloromethane mixture (1:1) and adsorbed onto 1 gm Celite and dried. The adsorbed sample was placed onto a glass column (50 ×
|
||
<quantity id="4C829B2FFFABFFC4CFF08D024036CA02" box="[968,1039,1851,1870]" metricMagnitude="-2" metricUnit="m" metricValue="2.5" pageId="5" pageNumber="6" unit="cm" value="2.5">2.5 cm</quantity>
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||
) packed with silica after making a slurry in dichloromethane. The column was isocratically eluted with dichloromethane: methanol (97.5:2.5) and 10 ml fractions were collected. Fractions 20–44 were pooled together to give mixture of
|
||
<emphasis id="B90EEAD8FFABFFC4C95D8DB64148CAEE" bold="true" box="[1381,1393,1935,1954]" pageId="5" pageNumber="6">2</emphasis>
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and
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<emphasis id="B90EEAD8FFABFFC4C99E8DB6418BCAEE" bold="true" box="[1446,1458,1935,1954]" pageId="5" pageNumber="6">3</emphasis>
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||
as determined by TLC. The metabolites were obtained in the form of yellowish residue (
|
||
<quantity id="4C829B2FFFA8FFC7CD2E8D38456CCA58" box="[278,341,1793,1812]" metricMagnitude="-5" metricUnit="kg" metricValue="8.0" pageId="6" pageNumber="7" unit="mg" value="80.0">80 mg</quantity>
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||
,
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||
<emphasis id="B90EEAD8FFA8FFC7CD678D384554CA58" bold="true" box="[351,365,1793,1812]" italics="true" pageId="6" pageNumber="7">R</emphasis>
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||
f 0.3 S
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||
<subScript id="17FE348FFFA8FFC7CD918D31458BCA5A" attach="left" box="[425,434,1800,1814]" fontSize="6" pageId="6" pageNumber="7">2</subScript>
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).
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||
</paragraph>
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<caption id="DF056642FFABFFC4CC8A8D2B44FECAF5" ID-DOI="http://doi.org/10.5281/zenodo.8302178" ID-Zenodo-Dep="8302178" box="[178,199,1810,1977]" httpUri="https://zenodo.org/record/8302178/files/figure.png" pageId="5" pageNumber="6" startId="5.[178,199,1810,1817]" targetBox="[202,672,148,1977]" targetPageId="5">
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<paragraph id="8BC536CAFFABFFC4CC8A8D2B44FECACD" blockId="5.[178,199,1810,1977]" box="[178,199,1810,1921]" pageId="5" pageNumber="6">
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)
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||
<emphasis id="B90EEAD8FFABFFC4CC8A8D2544FECA26" bold="true" box="[178,199,1820,1898]" italics="true" pageId="5" pageNumber="6">continued</emphasis>
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(
|
||
<emphasis id="B90EEAD8FFABFFC4CC8A8D4F44FECACD" bold="true" box="[178,199,1910,1921]" pageId="5" pageNumber="6">4</emphasis>
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</paragraph>
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<paragraph id="8BC536CAFFABFFC4CC8A8DBE44FECAF5" blockId="5.[178,199,1810,1977]" box="[178,199,1927,1977]" pageId="5" pageNumber="6">
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<emphasis id="B90EEAD8FFABFFC4CC8A8DBE44FECAF5" bold="true" box="[178,199,1927,1977]" pageId="5" pageNumber="6">Table</emphasis>
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</paragraph>
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||
</caption>
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<caption id="DF056642FFA8FFC7CC5C889445ECCFBD" ID-DOI="http://doi.org/10.5281/zenodo.8291906" ID-Zenodo-Dep="8291906" httpUri="https://zenodo.org/record/8291906/files/figure.png" pageId="6" pageNumber="7" startId="6.[100,130,685,702]" targetBox="[340,1248,149,657]" targetPageId="6" targetType="figure">
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<paragraph id="8BC536CAFFA8FFC7CC5C889445ECCFBD" blockId="6.[100,1487,685,753]" pageId="6" pageNumber="7">
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<emphasis id="B90EEAD8FFA8FFC7CC5C889444A6CFF2" bold="true" box="[100,159,685,702]" pageId="6" pageNumber="7">Fig. 2.</emphasis>
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Docked poses of the five papaverine-based biotransformation products with better docking scores than the native ligand in the Human PDE-10 A crystal structure, PDB: 2WEY; 4 (red), 1 (yellow), 6 (blue), 3 (blum), 5 (faded orange). (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)
|
||
</paragraph>
|
||
</caption>
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||
<caption id="DF056642FFA8FFC7CDDF8CFE4077CB94" ID-DOI="http://doi.org/10.5281/zenodo.8291908" ID-Zenodo-Dep="8291908" box="[487,1102,1735,1752]" httpUri="https://zenodo.org/record/8291908/files/figure.png" pageId="6" pageNumber="7" startId="6.[487,517,1735,1752]" targetBox="[226,1361,802,1706]" targetPageId="6" targetType="figure">
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<paragraph id="8BC536CAFFA8FFC7CDDF8CFE4077CB94" blockId="6.[487,1102,1735,1752]" box="[487,1102,1735,1752]" pageId="6" pageNumber="7">
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||
<emphasis id="B90EEAD8FFA8FFC7CDDF8CFE4619CB94" bold="true" box="[487,544,1735,1752]" pageId="6" pageNumber="7">Fig. 3.</emphasis>
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Structure of papaverine and its metabolite from different Fungi.
|
||
</paragraph>
|
||
</caption>
|
||
<paragraph id="8BC536CAFFA8FFC7CCBC8D24473BCAF7" blockId="6.[100,770,1793,1981]" pageId="6" pageNumber="7">
|
||
The mixture was loaded in silica biotage column (18 ×
|
||
<quantity id="4C829B2FFFA8FFC7CE478D2446E9CA7C" box="[639,720,1821,1840]" metricMagnitude="-1" metricUnit="m" metricValue="1.5" pageId="6" pageNumber="7" unit="mm" value="150.0">150 mm</quantity>
|
||
). The column was gradiently eluted with dichloromethane 100% then dichloromethane:2-propanol (98:2, 97:3,95:5) and 20 ml fractions were collected. Fractions 27–31 were pooled together to give pure
|
||
<emphasis id="B90EEAD8FFA8FFC7CE898D494684CACF" bold="true" box="[689,701,1904,1923]" pageId="6" pageNumber="7">2</emphasis>
|
||
, in the form of white powder (
|
||
<quantity id="4C829B2FFFA8FFC7CD798DB5454DCAEC" box="[321,372,1932,1952]" metricMagnitude="-6" metricUnit="kg" metricValue="7.0" pageId="6" pageNumber="7" unit="mg" value="7.0">7 mg</quantity>
|
||
,
|
||
<emphasis id="B90EEAD8FFA8FFC7CD468DB545A9CAED" bold="true" box="[382,400,1932,1953]" italics="true" pageId="6" pageNumber="7">
|
||
<subScript id="17FE348FFFA8FFC7CD468DB545A9CAED" attach="left" box="[382,400,1932,1953]" fontSize="6" pageId="6" pageNumber="7">Rf</subScript>
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||
</emphasis>
|
||
0.70 S
|
||
<subScript id="17FE348FFFA8FFC7CDEB8DAD45E5CAEE" attach="right" box="[467,476,1940,1954]" fontSize="6" pageId="6" pageNumber="7">1</subScript>
|
||
). Fractions 65–85 were pooled together to give pure
|
||
<emphasis id="B90EEAD8FFA8FFC7CD138D91450ECAF7" bold="true" box="[299,311,1960,1979]" pageId="6" pageNumber="7">3</emphasis>
|
||
, in the form of white powder (
|
||
<quantity id="4C829B2FFFA8FFC7CE6A8D9146A9CAF0" box="[594,656,1960,1980]" metricMagnitude="-5" metricUnit="kg" metricValue="3.0" pageId="6" pageNumber="7" unit="mg" value="30.0">30 mg</quantity>
|
||
,
|
||
<emphasis id="B90EEAD8FFA8FFC7CEA08D91469FCAF7" bold="true" box="[664,678,1960,1979]" italics="true" pageId="6" pageNumber="7">R</emphasis>
|
||
f 0.61 S
|
||
<subScript id="17FE348FFFA8FFC7CED38D9646CDCAF1" attach="left" box="[747,756,1967,1981]" fontSize="6" pageId="6" pageNumber="7">1</subScript>
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||
).
|
||
</paragraph>
|
||
</subSubSection>
|
||
</treatment>
|
||
</document> |