Biologically potent organotin(iv) complexes of N -acetylated β-amino acids with spectroscopic, X-ray powder diffraction and molecular docking studies
Twelve novel organotin(iv) complexes (1-12) of -acetylated β-amino acids (L -L ) were synthesized and characterized by elemental analysis, FTIR, multinuclear ( H, C, Sn) NMR, EI-MS and powder XRD techniques. The XRD results determined lattice parameters, average particle size, and intrinsic strain a...
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creator | Riaz, Nagina Naveed Ahmed, Muhammad Mahboob Kashif, Muhammad Sajid, Muhammad Ali, Muhammad Mahmood, Khalid |
description | Twelve novel organotin(iv) complexes (1-12) of
-acetylated β-amino acids (L
-L
) were synthesized and characterized by elemental analysis, FTIR, multinuclear (
H,
C,
Sn) NMR, EI-MS and powder XRD techniques. The XRD results determined lattice parameters, average particle size, and intrinsic strain and confirmed the crystalline nature of complexes as face centered cubic phases. Molecular docking analysis using a catalytic pocket of the
enzyme indicated that most of the compounds displayed a well-fitted orientation and occupied important amino acids in the enzyme's catalytic pocket. Furthermore,
inhibitory activity results revealed that L
and complexes 4, 6 and 10 showed the highest activity with IC
values of 21.54 ± 0.45, 37.96 ± 0.81 and 35.20 ± 1.02, respectively, compared to standard acarbose with an IC
value of 42.51 ± 0.21. In addition,
antidiabetic activity of selected compounds using alloxan induced diabetic rabbits showed that L
and complexes 4, 6, 10, 12 showed significant activities like standard metformin. Anti-bacterial activity against the selected Gram-positive and Gram-negative bacterial strains has the following order
>
>
>
. Similarly, antioxidant activity by the DPPH scavenging method was also studied with following results: triorganotin > diorganotin > ligands. |
doi_str_mv | 10.1039/d2ra06718h |
format | Article |
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-acetylated β-amino acids (L
-L
) were synthesized and characterized by elemental analysis, FTIR, multinuclear (
H,
C,
Sn) NMR, EI-MS and powder XRD techniques. The XRD results determined lattice parameters, average particle size, and intrinsic strain and confirmed the crystalline nature of complexes as face centered cubic phases. Molecular docking analysis using a catalytic pocket of the
enzyme indicated that most of the compounds displayed a well-fitted orientation and occupied important amino acids in the enzyme's catalytic pocket. Furthermore,
inhibitory activity results revealed that L
and complexes 4, 6 and 10 showed the highest activity with IC
values of 21.54 ± 0.45, 37.96 ± 0.81 and 35.20 ± 1.02, respectively, compared to standard acarbose with an IC
value of 42.51 ± 0.21. In addition,
antidiabetic activity of selected compounds using alloxan induced diabetic rabbits showed that L
and complexes 4, 6, 10, 12 showed significant activities like standard metformin. Anti-bacterial activity against the selected Gram-positive and Gram-negative bacterial strains has the following order
>
>
>
. Similarly, antioxidant activity by the DPPH scavenging method was also studied with following results: triorganotin > diorganotin > ligands.</description><identifier>ISSN: 2046-2069</identifier><identifier>EISSN: 2046-2069</identifier><identifier>DOI: 10.1039/d2ra06718h</identifier><identifier>PMID: 37033437</identifier><language>eng</language><publisher>England: Royal Society of Chemistry</publisher><subject>Alloxan ; Amino acids ; Chemical analysis ; Chemistry ; E coli ; Enzymes ; Glucosidase ; Lattice parameters ; Molecular docking ; NMR ; Nuclear magnetic resonance ; Scavenging ; X ray powder diffraction ; X-ray diffraction</subject><ispartof>RSC advances, 2023-04, Vol.13 (16), p.10768-10789</ispartof><rights>This journal is © The Royal Society of Chemistry.</rights><rights>Copyright Royal Society of Chemistry 2023</rights><rights>This journal is © The Royal Society of Chemistry 2023 The Royal Society of Chemistry</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c371t-2778e8bb2c07c1b2c02024dbfda9cb78171ffd105b91e1914ec71c2d71a15dd3</citedby><cites>FETCH-LOGICAL-c371t-2778e8bb2c07c1b2c02024dbfda9cb78171ffd105b91e1914ec71c2d71a15dd3</cites><orcidid>0000-0001-5647-4924 ; 0000-0003-1025-5800</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10074041/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10074041/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,864,885,27924,27925,53791,53793</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/37033437$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Riaz, Nagina Naveed</creatorcontrib><creatorcontrib>Ahmed, Muhammad Mahboob</creatorcontrib><creatorcontrib>Kashif, Muhammad</creatorcontrib><creatorcontrib>Sajid, Muhammad</creatorcontrib><creatorcontrib>Ali, Muhammad</creatorcontrib><creatorcontrib>Mahmood, Khalid</creatorcontrib><title>Biologically potent organotin(iv) complexes of N -acetylated β-amino acids with spectroscopic, X-ray powder diffraction and molecular docking studies</title><title>RSC advances</title><addtitle>RSC Adv</addtitle><description>Twelve novel organotin(iv) complexes (1-12) of
-acetylated β-amino acids (L
-L
) were synthesized and characterized by elemental analysis, FTIR, multinuclear (
H,
C,
Sn) NMR, EI-MS and powder XRD techniques. The XRD results determined lattice parameters, average particle size, and intrinsic strain and confirmed the crystalline nature of complexes as face centered cubic phases. Molecular docking analysis using a catalytic pocket of the
enzyme indicated that most of the compounds displayed a well-fitted orientation and occupied important amino acids in the enzyme's catalytic pocket. Furthermore,
inhibitory activity results revealed that L
and complexes 4, 6 and 10 showed the highest activity with IC
values of 21.54 ± 0.45, 37.96 ± 0.81 and 35.20 ± 1.02, respectively, compared to standard acarbose with an IC
value of 42.51 ± 0.21. In addition,
antidiabetic activity of selected compounds using alloxan induced diabetic rabbits showed that L
and complexes 4, 6, 10, 12 showed significant activities like standard metformin. Anti-bacterial activity against the selected Gram-positive and Gram-negative bacterial strains has the following order
>
>
>
. Similarly, antioxidant activity by the DPPH scavenging method was also studied with following results: triorganotin > diorganotin > ligands.</description><subject>Alloxan</subject><subject>Amino acids</subject><subject>Chemical analysis</subject><subject>Chemistry</subject><subject>E coli</subject><subject>Enzymes</subject><subject>Glucosidase</subject><subject>Lattice parameters</subject><subject>Molecular docking</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Scavenging</subject><subject>X ray powder diffraction</subject><subject>X-ray diffraction</subject><issn>2046-2069</issn><issn>2046-2069</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNpdkdFOFTEQhhujEQLc-ACmiTdoXOx092x3rwyCggnRxHDh3aY77Z5T7LZr2wXPi_AgPojPZA8gQeZmJpkvf_6Zn5AXwA6Ale07xYNktYBm9YRsc1bVBWd1-_TBvEX2YrxgueoF8Bqek61SsLKsSrFNrj8Yb_3SoLR2TSeftEvUh6V0Phm3by5fU_TjZPUvHakf6BdaSNRpbWXSiv75XcjROE8lGhXplUkrGieNKfiIfjL4ln4vgtwIXykdqDLDECQm4x2VTtHRW42zlXnj8YdxSxrTrIyOu-TZIG3Ue3d9h5x_-nh-dFqcfT35fHR4VmApIBVciEY3fc-RCYRN44xXqh-UbLEXDQgYBgVs0begoYVKowDkSoCEhVLlDnl_KzvN_agV5uODtN0UzCjDuvPSdP9vnFl1S3_ZAWOiYhVkhf07heB_zjqmbjQRtbXSaT_Hjou2zS5AiIy-eoRe-Dm4fN4Nxdqm5jxTb24pzD-MQQ_3boB1m8S7Y_7t8Cbx0wy_fOj_Hv2Xb_kXTWGqeg</recordid><startdate>20230403</startdate><enddate>20230403</enddate><creator>Riaz, Nagina Naveed</creator><creator>Ahmed, Muhammad Mahboob</creator><creator>Kashif, Muhammad</creator><creator>Sajid, Muhammad</creator><creator>Ali, Muhammad</creator><creator>Mahmood, Khalid</creator><general>Royal Society of Chemistry</general><general>The Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>7X8</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0001-5647-4924</orcidid><orcidid>https://orcid.org/0000-0003-1025-5800</orcidid></search><sort><creationdate>20230403</creationdate><title>Biologically potent organotin(iv) complexes of N -acetylated β-amino acids with spectroscopic, X-ray powder diffraction and molecular docking studies</title><author>Riaz, Nagina Naveed ; Ahmed, Muhammad Mahboob ; Kashif, Muhammad ; Sajid, Muhammad ; Ali, Muhammad ; Mahmood, Khalid</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c371t-2778e8bb2c07c1b2c02024dbfda9cb78171ffd105b91e1914ec71c2d71a15dd3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Alloxan</topic><topic>Amino acids</topic><topic>Chemical analysis</topic><topic>Chemistry</topic><topic>E coli</topic><topic>Enzymes</topic><topic>Glucosidase</topic><topic>Lattice parameters</topic><topic>Molecular docking</topic><topic>NMR</topic><topic>Nuclear magnetic resonance</topic><topic>Scavenging</topic><topic>X ray powder diffraction</topic><topic>X-ray diffraction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Riaz, Nagina Naveed</creatorcontrib><creatorcontrib>Ahmed, Muhammad Mahboob</creatorcontrib><creatorcontrib>Kashif, Muhammad</creatorcontrib><creatorcontrib>Sajid, Muhammad</creatorcontrib><creatorcontrib>Ali, Muhammad</creatorcontrib><creatorcontrib>Mahmood, Khalid</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>RSC advances</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Riaz, Nagina Naveed</au><au>Ahmed, Muhammad Mahboob</au><au>Kashif, Muhammad</au><au>Sajid, Muhammad</au><au>Ali, Muhammad</au><au>Mahmood, Khalid</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Biologically potent organotin(iv) complexes of N -acetylated β-amino acids with spectroscopic, X-ray powder diffraction and molecular docking studies</atitle><jtitle>RSC advances</jtitle><addtitle>RSC Adv</addtitle><date>2023-04-03</date><risdate>2023</risdate><volume>13</volume><issue>16</issue><spage>10768</spage><epage>10789</epage><pages>10768-10789</pages><issn>2046-2069</issn><eissn>2046-2069</eissn><abstract>Twelve novel organotin(iv) complexes (1-12) of
-acetylated β-amino acids (L
-L
) were synthesized and characterized by elemental analysis, FTIR, multinuclear (
H,
C,
Sn) NMR, EI-MS and powder XRD techniques. The XRD results determined lattice parameters, average particle size, and intrinsic strain and confirmed the crystalline nature of complexes as face centered cubic phases. Molecular docking analysis using a catalytic pocket of the
enzyme indicated that most of the compounds displayed a well-fitted orientation and occupied important amino acids in the enzyme's catalytic pocket. Furthermore,
inhibitory activity results revealed that L
and complexes 4, 6 and 10 showed the highest activity with IC
values of 21.54 ± 0.45, 37.96 ± 0.81 and 35.20 ± 1.02, respectively, compared to standard acarbose with an IC
value of 42.51 ± 0.21. In addition,
antidiabetic activity of selected compounds using alloxan induced diabetic rabbits showed that L
and complexes 4, 6, 10, 12 showed significant activities like standard metformin. Anti-bacterial activity against the selected Gram-positive and Gram-negative bacterial strains has the following order
>
>
>
. Similarly, antioxidant activity by the DPPH scavenging method was also studied with following results: triorganotin > diorganotin > ligands.</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>37033437</pmid><doi>10.1039/d2ra06718h</doi><tpages>22</tpages><orcidid>https://orcid.org/0000-0001-5647-4924</orcidid><orcidid>https://orcid.org/0000-0003-1025-5800</orcidid><oa>free_for_read</oa></addata></record> |
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subjects | Alloxan Amino acids Chemical analysis Chemistry E coli Enzymes Glucosidase Lattice parameters Molecular docking NMR Nuclear magnetic resonance Scavenging X ray powder diffraction X-ray diffraction |
title | Biologically potent organotin(iv) complexes of N -acetylated β-amino acids with spectroscopic, X-ray powder diffraction and molecular docking studies |
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