293738-21-3Relevant articles and documents
Design, synthesis, molecular docking, density functional theory and antimicrobial studies of some novel benzoxazole derivatives as structural bioisosteres of nucleotides
Erol, Meryem,Celik, Ismail,Temiz-Arpaci, Ozlem,Kaynak-Onurdag, Fatma,Okten, Suzan
, p. 3080 - 3091 (2021)
A series of some novel 2-(p-tert-butylphenyl)-5-(3-substituted-propionamido)benzoxazole derivatives have been designed, synthesized, evaluated for antimicrobial activity and have performed molecular docking studies against penicillin-binding protein 4 (PBP4) and active and allosteric site of PBP2a; were calculated some theoretical quantum parameters and absorption, distribution, metabolism and excretion (ADME) descriptors. B9 acted at minimum inhibitory concentration (MIC) = 8 μg/mL against S. aureus, E. faecalis and their drug-resistant isolates and also formed with GLU145 (1.74 ?) and ILE144 (1.89 ?) two hydrogen bonds at allosteric site of PBP2a with Glide emodel score: ?42.168. ΔE of compound B9 had moderate value of all compounds with 0.14742. (Figure presented.) Communicated by Ramaswamy H. Sarma.
Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole
Sheena Mary,Al-Shehri, Mona M.,Jalaja,Al-Omary, Fatmah A.M.,El-Emam, Ali A.,Yohannan Panicker,Armakovi?, Stevan,Armakovi?, Sanja J.,Temiz-Arpaci, Ozlem,Van Alsenoy
, p. 557 - 573 (2017)
Antimicrobial active 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole (NATPB) was synthesized and observed IR, Raman bands are compared with the theoretically predicted wave numbers. In the IR spectrum the NH stretching wave number splits in
Anticancer supplement agent including benzo[D]oxazol derivative as effective ingredient
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Page/Page column 12, (2016/10/17)
Disclosed is an anticancer supplement agent including a benzo[d]oxazole derivative as an effective ingredient. The benzo[d]oxazole derivative, which is a nuclear factor E2-related factor 2 (Nrf2) inhibitor, is capable of inhibiting activity of Nrf2 that induces an antioxidant enzyme to remove reactive oxygen species (ROS) that kills a cancer cell, thereby increasing production of ROS. Therefore, the benzo[d]oxazole derivative can be used as an anticancer supplement agent that shows therapeutic effects in anticancer agent therapy or radiation therapy, and in this regard, the benzo[d]oxazole derivative can overcome tolerance of the cancer cell to anticancer agent therapy or radiation therapy and enhance apoptotic effects on the cancer cell.