Ahmad Zulfiqar , Irshad Ullah Khan , Muhammad Nabi , Hayat Ullah , Naveed Iqbal , Benish Zeb , Amjad Hussain , Daud Khan , Abdur Rab , Sayyed Muhammad Junaid , Muhammad Taha , Syed Adnan Ali Shah , Fazal Rahim
{"title":"作为潜在胆碱酯酶抑制剂的取代苯甲酰肼席夫碱加合物的合成与生物学评价","authors":"Ahmad Zulfiqar , Irshad Ullah Khan , Muhammad Nabi , Hayat Ullah , Naveed Iqbal , Benish Zeb , Amjad Hussain , Daud Khan , Abdur Rab , Sayyed Muhammad Junaid , Muhammad Taha , Syed Adnan Ali Shah , Fazal Rahim","doi":"10.1016/j.cdc.2024.101151","DOIUrl":null,"url":null,"abstract":"<div><p>A total of Twenty two (<strong>22</strong>) derivatives of benzohydrazide bearing Schiff base have been synthesized, characterized through <sup>1</sup>HNMR, <sup>13</sup>C NMR and screened against cholinesterase inhibitory potentials. All the adducts (<strong>1–22</strong>) showed varying degree of cholinesterase inhibitory potential IC<sub>50</sub> ranging between 13.23 ± 0.02 to 59.09 ± 1.22 <em>µ</em>M against acetylcholinesterase, with IC<sub>50</sub> values ranging from 23.55 ± 0.32 to 61.55 ± 0.58 <em>µ</em>M against butyrylcholinesterase. Among the series analogs <strong>1, 3, 8, 12, 14, 15, 17, 18</strong> and <strong>22</strong> with IC<sub>50</sub> values 20.05 ± 0.13, 17.32 ± 0.15, 14.32 ± 0.97, 23.33 ± 0.56, 18.02 ± 0.09, 19.05 ± 0.13, 15.11 ± 0.23, 13.23 ± 0.02, and 22.57 ± 0.09 <em>µ</em>M respectively showed excellent inhibitory potential against acetylcholinesterase and with IC<sub>50</sub> values 31.46 ± 0.98, 26.06 ± 0.08, 25.33 ± 1.49, 30.12 ± 0.78, 28.11 ± 0.5, 29.33 ± 0.19, 25.37 ± 0.47, 23.55 ± 0.32 and 33.12 ± 0.78 against butylcholinesterase as compared to the standard Galanthamine. All other analogs showed moderate inhibitory potential. A structure-activity relationship has been established for all compounds. Through molecular docking studies, the interactions between compounds with the enzyme active sites were confirmed.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"52 ","pages":"Article 101151"},"PeriodicalIF":2.2180,"publicationDate":"2024-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis and biological evaluation of substituted benzohydrazide Schiff base adduct as potential cholinesterase inhibitors\",\"authors\":\"Ahmad Zulfiqar , Irshad Ullah Khan , Muhammad Nabi , Hayat Ullah , Naveed Iqbal , Benish Zeb , Amjad Hussain , Daud Khan , Abdur Rab , Sayyed Muhammad Junaid , Muhammad Taha , Syed Adnan Ali Shah , Fazal Rahim\",\"doi\":\"10.1016/j.cdc.2024.101151\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>A total of Twenty two (<strong>22</strong>) derivatives of benzohydrazide bearing Schiff base have been synthesized, characterized through <sup>1</sup>HNMR, <sup>13</sup>C NMR and screened against cholinesterase inhibitory potentials. All the adducts (<strong>1–22</strong>) showed varying degree of cholinesterase inhibitory potential IC<sub>50</sub> ranging between 13.23 ± 0.02 to 59.09 ± 1.22 <em>µ</em>M against acetylcholinesterase, with IC<sub>50</sub> values ranging from 23.55 ± 0.32 to 61.55 ± 0.58 <em>µ</em>M against butyrylcholinesterase. Among the series analogs <strong>1, 3, 8, 12, 14, 15, 17, 18</strong> and <strong>22</strong> with IC<sub>50</sub> values 20.05 ± 0.13, 17.32 ± 0.15, 14.32 ± 0.97, 23.33 ± 0.56, 18.02 ± 0.09, 19.05 ± 0.13, 15.11 ± 0.23, 13.23 ± 0.02, and 22.57 ± 0.09 <em>µ</em>M respectively showed excellent inhibitory potential against acetylcholinesterase and with IC<sub>50</sub> values 31.46 ± 0.98, 26.06 ± 0.08, 25.33 ± 1.49, 30.12 ± 0.78, 28.11 ± 0.5, 29.33 ± 0.19, 25.37 ± 0.47, 23.55 ± 0.32 and 33.12 ± 0.78 against butylcholinesterase as compared to the standard Galanthamine. All other analogs showed moderate inhibitory potential. A structure-activity relationship has been established for all compounds. Through molecular docking studies, the interactions between compounds with the enzyme active sites were confirmed.</p></div>\",\"PeriodicalId\":269,\"journal\":{\"name\":\"Chemical Data Collections\",\"volume\":\"52 \",\"pages\":\"Article 101151\"},\"PeriodicalIF\":2.2180,\"publicationDate\":\"2024-06-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Data Collections\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2405830024000399\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"Chemistry\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Data Collections","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2405830024000399","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Chemistry","Score":null,"Total":0}
Synthesis and biological evaluation of substituted benzohydrazide Schiff base adduct as potential cholinesterase inhibitors
A total of Twenty two (22) derivatives of benzohydrazide bearing Schiff base have been synthesized, characterized through 1HNMR, 13C NMR and screened against cholinesterase inhibitory potentials. All the adducts (1–22) showed varying degree of cholinesterase inhibitory potential IC50 ranging between 13.23 ± 0.02 to 59.09 ± 1.22 µM against acetylcholinesterase, with IC50 values ranging from 23.55 ± 0.32 to 61.55 ± 0.58 µM against butyrylcholinesterase. Among the series analogs 1, 3, 8, 12, 14, 15, 17, 18 and 22 with IC50 values 20.05 ± 0.13, 17.32 ± 0.15, 14.32 ± 0.97, 23.33 ± 0.56, 18.02 ± 0.09, 19.05 ± 0.13, 15.11 ± 0.23, 13.23 ± 0.02, and 22.57 ± 0.09 µM respectively showed excellent inhibitory potential against acetylcholinesterase and with IC50 values 31.46 ± 0.98, 26.06 ± 0.08, 25.33 ± 1.49, 30.12 ± 0.78, 28.11 ± 0.5, 29.33 ± 0.19, 25.37 ± 0.47, 23.55 ± 0.32 and 33.12 ± 0.78 against butylcholinesterase as compared to the standard Galanthamine. All other analogs showed moderate inhibitory potential. A structure-activity relationship has been established for all compounds. Through molecular docking studies, the interactions between compounds with the enzyme active sites were confirmed.
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Chemical Data Collections (CDC) provides a publication outlet for the increasing need to make research material and data easy to share and re-use. Publication of research data with CDC will allow scientists to: -Make their data easy to find and access -Benefit from the fast publication process -Contribute to proper data citation and attribution -Publish their intermediate and null/negative results -Receive recognition for the work that does not fit traditional article format. The research data will be published as ''data articles'' that support fast and easy submission and quick peer-review processes. Data articles introduced by CDC are short self-contained publications about research materials and data. They must provide the scientific context of the described work and contain the following elements: a title, list of authors (plus affiliations), abstract, keywords, graphical abstract, metadata table, main text and at least three references. The journal welcomes submissions focusing on (but not limited to) the following categories of research output: spectral data, syntheses, crystallographic data, computational simulations, molecular dynamics and models, physicochemical data, etc.
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