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dc.contributor.authorBabu, A.en
dc.contributor.authorJoy, M. N.en
dc.contributor.authorSunil, K.en
dc.contributor.authorSajith, A. M.en
dc.contributor.authorSantra, S.en
dc.contributor.authorZyryanov, G. V.en
dc.contributor.authorKonovalova, O. A.en
dc.contributor.authorButorin, I. I.en
dc.contributor.authorMuniraju, K.en
dc.date.accessioned2022-10-19T05:21:57Z-
dc.date.available2022-10-19T05:21:57Z-
dc.date.issued2022-
dc.identifier.citationTowards novel tacrine analogues: Pd(dppf)Cl2·CH2Cl2 catalyzed improved synthesis, in silico docking and hepatotoxicity studies / A. Babu, M. N. Joy, K. Sunil et al. // RSC Advances. — 2022. — Vol. 12. — Iss. 35. — P. 22476-22491.en
dc.identifier.issn20462069-
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85137552514&doi=10.1039%2fd2ra03225b&partnerID=40&md5=a1e7fc0fb52bcda7714f9cb090469cb2link
dc.identifier.urihttp://elar.urfu.ru/handle/10995/118091-
dc.description.abstractA plethora of 6-(hetero)aryl C-C and C-N bonded tacrine analogues has been made accessible by employing palladium mediated (Suzuki-Miyaura, Heck, Sonogashira, Stille and Buchwald) cross-coupling reactions, starting from either halogenated or borylated residues. The successful use of Pd(dppf)Cl2·CH2Cl2 as a common catalytic system in realizing all these otherwise challenging transformations is the highlight of our optimized protocols. The analogues thus synthesized allow the available chemical space around the C-6 of this biologically relevant tacrine core to be explored. The in silico docking studies of the synthesized compounds were carried out against the acetylcholinesterase (AChE) enzyme. The hepatotoxicity studies of these compounds were done against complexes of CYP1A2 and CYP3A4 proteins with known inhibitors like 7,8-benzoflavone and ketoconazole, respectively. © 2022 The Royal Society of Chemistry.en
dc.description.sponsorshipErwin Schrödinger International Institute for Mathematics and Physics, ESI; Ministry of Education and Science of the Russian Federation, Minobrnauka: 075-15-2020-777; Russian Science Foundation, RSF: 20-73-10205; Council on grants of the President of the Russian Federation: 21-13-00304, 22-23-20189, NSh-1223.2022.1.3en
dc.description.sponsorshipAravinda Babu is thankful to Syngene International Ltd. for providing the No Objection Certificate (NOC) to pursue his doctoral work. The authors are thankful to Sri Siddhartha Academy of Higher Education and Karnataka Council for Technological Upgradation (KCTU) for rendering all the facilities to carry out the research work. Grigory V. Zyryanov is thankful to Ministry of Science and Higher Education of the Russian Federation (Grant # 075-15-2020-777) for the financial support. Sougata Santra is thankful to Russian Science Foundation (Grant # 20-73-10205) and Grants Council of the President of the Russian Federation (# NSh-1223.2022.1.3). Muthipeedika Nibin Joy is thankful to Russian Science Foundation (Grants ## 22-23-20189 and 21-13-00304). The detailed experimental procedure and characterization data including spectra are available in the ESI uploaded along with the manuscript.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherRoyal Society of Chemistryen
dc.relationinfo:eu-repo/grantAgreement/RSF//20-73-10205en
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceRSC Advancesen
dc.subjectCHEMICAL REACTIONSen
dc.subjectCATALYTIC SYSTEMen
dc.subjectCHEMICAL SPACEen
dc.subjectCROSS COUPLING REACTIONSen
dc.subjectDOCKING STUDIESen
dc.subjectHEPATOTOXICITYen
dc.subjectIN-SILICOen
dc.subjectOPTIMIZED PROTOCOLen
dc.subjectPALLADIUM MEDIATEDen
dc.subjectSUZUKI-MIYAURAen
dc.subjectSYNTHESISEDen
dc.subjectCHEMICAL BONDSen
dc.titleTowards novel tacrine analogues: Pd(dppf)Cl2·CH2Cl2 catalyzed improved synthesis, in silico docking and hepatotoxicity studiesen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.doi10.1039/d2ra03225b-
dc.identifier.scopus85137552514-
local.contributor.employeeBabu, A., Department of Chemistry, SSIT, Sri Siddhartha Academy of Higher Education, Karnataka, Tumkur, 572107, Indiaen
local.contributor.employeeJoy, M.N., Institute of Chemical Technology, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federationen
local.contributor.employeeSunil, K., Department of Chemistry, SSIT, Sri Siddhartha Academy of Higher Education, Karnataka, Tumkur, 572107, Indiaen
local.contributor.employeeSajith, A.M., Department of Chemistry, SSIT, Sri Siddhartha Academy of Higher Education, Karnataka, Tumkur, 572107, Indiaen
local.contributor.employeeSantra, S., Institute of Chemical Technology, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federationen
local.contributor.employeeZyryanov, G.V., Institute of Chemical Technology, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federation, I. Ya. Postovskiy Institute of Organic Synthesis, Ural Division of the Russian Academy of Sciences, 22 S. Kovalevskoy Street, Yekaterinburg, 620002, Russian Federationen
local.contributor.employeeKonovalova, O.A., Institute of Chemical Technology, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federationen
local.contributor.employeeButorin, I.I., Institute of Chemical Technology, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federationen
local.contributor.employeeMuniraju, K., Government Degree College-Puttur (Affiliated to S. V. University, Tirupati), Narayanavanam Road, Chittoor (Dt) Andhra Pradesh, Puttur, 517583, Indiaen
local.description.firstpage22476-
local.description.lastpage22491-
local.issue35-
local.volume12-
dc.identifier.wos000838583400001-
local.contributor.departmentDepartment of Chemistry, SSIT, Sri Siddhartha Academy of Higher Education, Karnataka, Tumkur, 572107, Indiaen
local.contributor.departmentInstitute of Chemical Technology, Ural Federal University, 19 Mira Street, Yekaterinburg, 620002, Russian Federationen
local.contributor.departmentI. Ya. Postovskiy Institute of Organic Synthesis, Ural Division of the Russian Academy of Sciences, 22 S. Kovalevskoy Street, Yekaterinburg, 620002, Russian Federationen
local.contributor.departmentGovernment Degree College-Puttur (Affiliated to S. V. University, Tirupati), Narayanavanam Road, Chittoor (Dt) Andhra Pradesh, Puttur, 517583, Indiaen
local.identifier.pure30899869-
local.identifier.eid2-s2.0-85137552514-
local.fund.rsf20-73-10205-
local.identifier.wosWOS:000838583400001-
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