Synthesis, characterization, chemical and biological activities of 4-(4-methoxyphenethyl)-5- benzyl-2-hydroxy-2H-1,2,4-triazole-3(4H)-one phthalocyanine derivatives

Sarkı, Gülbınar; Tüzün, Burak; Ünlüer, Dilek; Kanteki̇n, Hali̇t

doi:10.1016/j.ica.2022.121113

Cited by 16 publications

(6 citation statements)

References 32 publications

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“…The orientation and interaction of the title compound and target protein are determinant of the numerical values of the docking parameters. The polar interactions that account for the activity of the molecules are hydrophobic interactions, π-π interactions, hydrogen bonding, and halogen interactions [ 54 – 56 ].…”

Section: Resultsmentioning

confidence: 99%

“…Many parameters are calculated and given in Table 3 , for this calculation each parameter describes a different property of molecules. The first parameters obtained by ADME/T calculations are the chemical properties of molecules such as dipole moment, molar mass, volume, hydrogen bond acceptance, and hydrogen bond donation [ 56 ]. The next parameters are biological parameters, which are calculated to predict the orientation and interactions of molecules in human metabolisms, such as QPlogHERG, QPPCaco, QPPMDCK, Human Oral Absorp., Jm [ 53 ].…”

Section: Resultsmentioning

confidence: 99%

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Repositioning of acefylline as anti-cancer drug: Synthesis, anticancer and computational studies of azomethines derived from acefylline tethered 4-amino-3-mercapto-1,2,4-triazole

et al. 2022

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Novel azomethines derived from acefylline tethered triazole hybrids (7a-k) have been synthesized and evaluated against human liver cancer cell line (Hep G2) using MTT assay. The synthesized series of azomethines exhibited promising efficacy against liver cancer cell line. Screening of the synthesized series identified compound 7d with the least cell viability value (11.71 ± 0.39%) as the most potent anticancer agent in contrast to the reference drug acefylline (cell viability = 80 ± 3.87%). In this study, the potentials of the novel agents (7a-k) to inhibit liver cancer proteins were assessed. Subsequently, the structure-activity relationship of the potential drug candidates was assessed via ADME/T molecular screening. The cytotoxic potential of these derivatives was also investigated by hemolysis and thrombolysis. Their hemolytic and thrombolytic studies showed that all of these drugs had very low cytotoxicity and moderate clot lysis activity. Compound 7g (0.26% hemolysis) and 7k (52.1% clot lysis) were the least toxic and moderate thrombolytic agents respectively.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Repositioning of acefylline as anti-cancer drug: Synthesis, anticancer and computational studies of azomethines derived from acefylline tethered 4-amino-3-mercapto-1,2,4-triazole

et al. 2022

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“…These compounds have been obtained by many solvent-assisted or solvent-free methods. The enone moiety is a widespread structural motif of various synthetic biologically active compounds, possessing enzyme inhibitory, anticancer and antimicrobial activity (Poustforoosh et al, 2022;Tapera et al, 2022;Sarkı et al, 2023).…”

Section: Chemical Contextmentioning

confidence: 99%

Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-dimethylfuran-3-yl)-3-phenylprop-2-en-1-one

Khalilov¹,

Khrustalev²,

Samigullina³

et al. 2023

Acta Cryst E

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The title compound, C15H14O2, adopts an E configuration about the C=C double bond. The furan ring is inclined to the phenyl ring by 12.03 (9)°. In the crystal, pairs of molecules are linked by C—H...O hydrogen bonds, forming dimers with R 2 2(14) ring motifs. The molecules are connected via C—H...π interactions, forming a three dimensional network. No π–π interactions are observed.

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“…Many natural chalcones, such as echinatin, naringenin, isoliquiritigenin, butein, 4-hydroxyderricin, 4-hydroxylonchocarpin, derricin, xanthoangelol, lonchocarpin, licochalcone A, licochalcone E, humulusol, munsericin, flavokawain A, isobavachalcone, mallotophilippen C, D and E, broussochalcone A, crotaorixin, pedicinin and nardoaristolone A have been isolated from plants (Rozmer & Perje ´si, 2016;C ¸elik et al, 2023;Chalkha et al, 2023). Moreover, the enone moiety is a widespread structural motif often found in biologically active compounds possessing enzyme inhibitory, anticancer and antimicrobial activity (Poustforoosh et al, 2022;Tapera et al, 2022;Sarkı et al, 2023). Herein, in continuation to our recent investigations (Gurbanov et al, 2022a,b), we report the crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one.…”

Section: Chemical Contextmentioning

confidence: 99%

Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one

Akkurt,

Naghiyev,

Khrustalev

et al. 2023

Acta Cryst E

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In the title compound, C16H13BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C—H...O interactions along the b axis. Successive chains form a zigzag structure along the c axis, and these chains are connected to each other by face-to-face π–π stacking interactions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals interactions, thus consolidating the crystal structure. Hirshfeld surface analysis showed that the most significant contacts in the structure are H...H (43.1%), C...H/H...C (17.4%), Br...H/H...Br (14.9%), C...C (11.9%) and O...H/H...O (9.8%).

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Synthesis, characterization, chemical and biological activities of 4-(4-methoxyphenethyl)-5- benzyl-2-hydroxy-2H-1,2,4-triazole-3(4H)-one phthalocyanine derivatives

Cited by 16 publications

References 32 publications

Repositioning of acefylline as anti-cancer drug: Synthesis, anticancer and computational studies of azomethines derived from acefylline tethered 4-amino-3-mercapto-1,2,4-triazole

Repositioning of acefylline as anti-cancer drug: Synthesis, anticancer and computational studies of azomethines derived from acefylline tethered 4-amino-3-mercapto-1,2,4-triazole

Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-dimethylfuran-3-yl)-3-phenylprop-2-en-1-one

Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one

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