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dc.contributor.authorIslam, Mohammad Shahidul
dc.contributor.authorAl-Majid, Abdullah Mohammed
dc.contributor.authorAzam, Mohammad
dc.contributor.authorVerma, Ved Prakash
dc.contributor.authorBarakat, Assem
dc.contributor.authorHaukka, Matti
dc.contributor.authorElgazar, Abdullah A.
dc.contributor.authorMira, Amira
dc.contributor.authorBadria, Farid A.
dc.date.accessioned2021-11-16T06:28:57Z
dc.date.available2021-11-16T06:28:57Z
dc.date.issued2021
dc.identifier.citationIslam, M. S., Al-Majid, A. M., Azam, M., Verma, V. P., Barakat, A., Haukka, M., Elgazar, A. A., Mira, A., & Badria, F. A. (2021). Construction of Spirooxindole Analogues Engrafted with Indole and Pyrazole Scaffolds as Acetylcholinesterase Inhibitors. <i>ACS Omega</i>, <i>6</i>(47), 31539-31556. <a href="https://doi.org/10.1021/acsomega.1c03978" target="_blank">https://doi.org/10.1021/acsomega.1c03978</a>
dc.identifier.otherCONVID_101880691
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/78670
dc.description.abstractTwenty-five new hits of spirooxindole analogs 8a–y engrafted with indole and pyrazole scaffolds were designed and constructed via a [3+2]cycloaddition (32CA) reaction starting from three components: new chalcone-based indole and pyrazole scaffolds 5a–d, substituted isatins 6a–c, and secondary amines 7a–d. The potency of the compounds were assessed in modulating cholinesterase (AChE) activity using Ellman’s method. Compounds 8i and 8y showed the strongest acetylcholine esterase inhibition (AChEI) with IC50 values of 24.1 and 27.8 μM, respectively. Molecular docking was used to study their interaction with the active site of hAChE.en
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherAmerican Chemical Society (ACS)
dc.relation.ispartofseriesACS Omega
dc.rightsCC BY-NC-ND 4.0
dc.subject.otherpeptides and proteins
dc.subject.otherscaffolds
dc.subject.otherindoles
dc.subject.othermolecular mechanics
dc.subject.otherinhibition
dc.titleConstruction of Spirooxindole Analogues Engrafted with Indole and Pyrazole Scaffolds as Acetylcholinesterase Inhibitors
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202111165683
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineEpäorgaaninen kemiafi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.contributor.oppiaineInorganic Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.description.reviewstatuspeerReviewed
dc.format.pagerange31539-31556
dc.relation.issn2470-1343
dc.relation.numberinseries47
dc.relation.volume6
dc.type.versionpublishedVersion
dc.rights.copyright© XXXX The Authors. Published by American Chemical Society
dc.rights.accesslevelopenAccessfi
dc.subject.ysoorgaaniset yhdisteet
dc.subject.ysobioaktiiviset yhdisteet
dc.subject.ysoinhibiittorit
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p3841
jyx.subject.urihttp://www.yso.fi/onto/yso/p28433
jyx.subject.urihttp://www.yso.fi/onto/yso/p24325
dc.rights.urlhttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.relation.doi10.1021/acsomega.1c03978
jyx.fundinginformationThe authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for providing funding to this Research group NO (RGP-257).


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CC BY-NC-ND 4.0
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