Synthesis, biological activity and docking calculations of bis-naphthoquinone derivatives from Lawsone

Basit Öğe Kaydı
dc.authoridParham Taslimi / 0000-0002-3171-0633
dc.authorscopusidParham Taslimi / 56658628800
dc.authorwosidParham Taslimi / AAL-2788-2020
dc.contributor.authorRiaz, Muhammad Tariq
dc.contributor.authorYaqub, Muhammad
dc.contributor.authorShafiq, Zahid
dc.contributor.authorAshraf, Abida
dc.contributor.authorKhalid, Muhammad Umar
dc.contributor.authorTaslimi, Parham
dc.contributor.authorTaş, Recep
dc.contributor.authorTüzün, Burak
dc.contributor.authorGülçin, İlhami
dc.date.accessioned2021-06-21T08:46:05Z
dc.date.available2021-06-21T08:46:05Z
dc.date.issued2021en_US
dc.departmentİstinye Üniversitesien_US
dc.description.abstractSome metabolic enzyme inhibitors can be used as Multi-target-Directed-Ligands (MTDL) in Medicinal chemistry therefore, synthesis and determination of alternative inhibitors are essential. In this study, novel bis-napthoquinone derivatives (5a-o) were synthesized through a multi-component cascade reaction of two molecules of 2-hydroxy-1,4-naphthoquinone with an aromatic aldehyde in basic media using triethylamine as a catalyst. This novel heterocyclic derivatives (5a-o) are applied to inhibit the carbonic anhydrase (hCA I and hCA II) isoform in low levels of nano molecules with Ki values exist between 4.62 ± 1.01 to 70.45 ± 9.03 nM for hCA I and for hCA II which is physiologically dominant Kis values are in the range of 5.61 ± 1.04 to 73.26 ± 10.25 nM. Further these novel derivatives (5a-o) efficiently inhibit AChE with Ki values in the range of 0.13 ± 0.02 to 3.16 ± 0.56 nM. The compounds are also applied for BChE with Ki values varying between 0.50 ± 0.10 to 9.23 ± 1.15 nM. For ?-glycosidase, the most efficient Ki values of 5e and 5f are 76.14 ± 9.60 and 95.27 ± 12.55 nM respectively. Finally, molecular docking calculations against enzymes (acetylcholinesterase, butyrylcholinesterase, and the human carbonic anhydrase I and II) are compared using biological activities of heterocyclic derivatives. After these calculations, an ADME/T analysis is performed to study the future medicinal use of heterocyclic derivatives from lawsone.en_US
dc.identifier.citationRiaz, M. T., Yaqub, M., Shafiq, Z., Ashraf, A., Khalid, M., Taslimi, P., ... & Gulçin, İ. (2021). Synthesis, Biological Activity and Docking Calculations of Bis-Naphthoquinone Derivatives from Lawsone. Bioorganic Chemistry, 105069.en_US
dc.identifier.doi10.1016/j.bioorg.2021.105069en_US
dc.identifier.issn0045-2068en_US
dc.identifier.pmid34134033en_US
dc.identifier.scopus2-s2.0-85107807507en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1016/j.bioorg.2021.105069
dc.identifier.urihttps://hdl.handle.net/20.500.12713/1807
dc.identifier.volume114en_US
dc.identifier.wosWOS:000689510400005en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.institutionauthorTaslimi, Parham
dc.language.isoenen_US
dc.publisherAcademic Press Inc.en_US
dc.relation.ispartofBioorganic Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectADME/Ten_US
dc.subjectCascade Synthesisen_US
dc.subjectEnzyme Inhibitionen_US
dc.subjectLawsonen_US
dc.subjectMolecular Dockingen_US
dc.titleSynthesis, biological activity and docking calculations of bis-naphthoquinone derivatives from Lawsoneen_US
dc.typeArticleen_US

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
77.pdf
Boyut:
6.07 MB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin / Full Text
İndir
Lisans paketi
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
license.txt
Boyut:
1.44 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama:
İndir

Koleksiyon

Scopus İndeksli Yayınlar Koleksiyonu
PubMed İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu