Scopus
YÖKSİS Eşleşti
Investigation of supramolecular interaction of quercetin withN,N-dimethylamine-functionalizedp-sulfonated calix[4,8]arenes using molecular modeling and theirin vitrocytotoxic response towards selected cancer cells
New Journal of Chemistry · Ekim 2021
YÖKSİS Kayıtları
Investigation of supramolecular interaction of quercetin with N,N-dimethylamine-functionalized p-sulfonated calix[4,8]arenes using molecular modeling and their in vitro cytotoxic response towards selected cancer cells
New Journal of Chemistry · 2021 SCI-Expanded
PROFESÖR SERDAR KARAKURT →
Investigation of supramolecular interaction of quercetin with N,N-dimethylamine-functionalized p-sulfonated calix[4,8]arenes using molecular modeling and their in vitro cytotoxic response towards selected cancer cells
New Journal of Chemistry · 2021 SCI-Expanded
DOÇENT MEHMET OĞUZ →
Investigation of supramolecular interaction of quercetin with N,N-dimethylamine-functionalized p-sulfonated calix[4,8]arenes using molecular modeling and their in vitro cytotoxic response towards selected cancer cells
New J. Chem. · 2021 SCI-Expanded
PROFESÖR MUSTAFA YILMAZ →
Makale Bilgileri
DergiNew Journal of Chemistry
Yayın TarihiEkim 2021
Cilt / Sayfa45 · 18443-18452
Scopus ID2-s2.0-85116969081
Özet
Although quercetin is an effective bioactive compound preventing the progress of several human cancers, its impact is reduced due to low bioavailability. The therapeutic potential of quercetin can be enhanced by its encapsulation with macromolecules. In the current study, stable complexes of water-solublep-sulfonato calix[4,8]areneN,N-dimethylamine derivatives (calix[4]arene (T-4) and calix[8]arene (O-4)) with quercetin (C-1andC-2) were synthesized and thoroughly characterized, and their cytotoxic effects were evaluated. The first phase solubility study performed shows that the solubility of quercetin is improved because of the formation of the inclusion complex. The solubility constant (Ks) values ofT-4-quercetinandO-4-quercetincomplexes were calculated to be 205.77 mM and 111.85 mM, respectively.In vitrocytotoxic assays of both complexes on different cancer cell lines were performed by using an alamarBlue assay. Acquired data revealed that the cytotoxic potential of complexesC-1andC-2was increased by 3.95 and 2.98-fold, respectively, compared to quercetin. Molecular docking and molecular dynamics simulations of the complexes were also performed to predict the three-dimensional structure of host-guest interactions as well as to obtain crucial time-dependent insight into the calixarene and quercetin complex formation dynamics.
Yazarlar (6)
1
Mehmet Oguz
2
Berna Dogan
3
Serdar Durdagi
4
Asif Ali Bhatti
5
Serdar Karakurt
6
Mustafa Yilmaz
Kurumlar
Bahçeşehir Üniversitesi
Istanbul Turkey
Government College University Hyderabad
Hyderabad Pakistan
Selçuk Üniversitesi
Selçuklu Turkey
Metrikler
5
Atıf
6
Yazar