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  • Küçük Resim
    Öğe
    In Vitro Cytotoxicity of Methano[1,2,4]Triazolo-[1,5-C][1,3,5]Benzoxadiazocine Derivatives and Their Effects on Nitrite and Prostaglandin E2 (PGE2) Levels
    (Springer, 2022) Doğan, İnci Selin; Gümüş, Mustafa Kemal; Gorobets, Nikolay Yu; Reis, Rengin; Orak, Duygu; Sipahi, Hande; Sarı, Suat; Chebanov, Valentyn A.
    Biological activity of the Biginelli type heterocycles is extremely broad and provides a suitable platform for the discovery of potent small drug-like molecules. Such activity of 3,4-dihydropyrimidin-2(1H)-one (DHPM) derivatives is widely known, whereas their oxygen-bridged analogs, benzoxadiazocines, are presented quite rarely in the literature. In this study, a series of new methano[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazocine derivatives (3a-3j) were evaluated in vitro for their activities and molecular docking features. According to the molecular docking study, COX-2 and PGE(2)S appeared as likely targets responsible for the reduced PGE(2) levels caused by the title compounds. The cytotoxicity of compounds 3a-3g, 3j was evaluated on RAW 264.7 murine macrophage cell line by MTT assay after treatment for 24 h with various doses (25, 50, 100 mu M) of these compounds. Then, compounds admitting cell viability higher than 70% were tested for their anti-inflammatory activity at non-toxic doses by evaluating the nitrite level of cell supernatants with the Griess reagent. Compounds 3c and 3f demonstrated significant inhibition of nitrite production (by 29 and 25%, respectively) at 100 mu M (p < 0.05). These compounds significantly inhibited PGE(2) production, thus suggesting analgesic activity.
  • Küçük Resim
    Öğe
    Pronounced anti-inflammatory and analgesic activities of a spirofuran-triazolo[1,5-a]pyrimidine scaffold available via biginelli multicomponent condensation
    (John Wiley and Sons Inc, 2024) Gümüş, Mustafa Kemal; Doğan, İnci Selin; Reis, Rengin; Sipahi, Hande; Uba, Abdullahi Ibrahim; Gorobets, Mykola Yu
    In this work, a series of phenyl-derivatives of spirofuran-triazolo[1,5-a]pyrimidine (5 a–i) were evaluated for their anti-inflammatory and analgesic activities, including SAR and molecular docking studies. The cytotoxicity of compounds was studied in RAW 264.7 murine macrophage cell line by MTT assay. Then, those with cell viability higher than 70 % were tested for their anti-inflammatory activity at their non-toxic doses by evaluating the nitrite level of the cell supernatants with the Griess reagent. Compounds 5 b, 5 d, 5 e, and 5 g demonstrated significant inhibition of nitrite production by 49 %, 59 %, 63 % respectively at 100 ?M (p<0.05), whereas 56 % inhibition was seen with 50 ?M of 5 g. According to the inhibition of PGE2, compound 5 b showed the most notable effect compared to control. All tested compounds, particularly 5 b, 5 d, 5 e and 5 f reduced the PGE? level and showed potential analgesic activity. Seven heterocycles 5 a–g showed moderate to significant anti-inflammatory and analgesic activities. Molecular docking predicts modest or no inhibition of 5 a–i with COX-1. Instead, the modelling results also show that these molecules can effectively bind to the enzymes COX-2 and mPGES-2. However, the simulation distinguished the key role of the 2-OH group in stabilizing the inhibitor-target complex only in the case of binding to COX-2.