Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives
نویسندگان
چکیده
Cancer is one of the most important diseases threatening human health today, and gastric cancer among top five in terms mortality rate. Synthesized eight isoxazole derivatives were investigated this study as computationally. Structural properties them examined detail chemical/electronic these compounds are using contour plot HOMO/LUMO molecular electrostatic potential (MEP) map. Anticancer docking calculations against H. Pylori VEGFR2. Additionally, pharmacokinetics pharmacology ADME p450 analyses Finally, it was found that compound 5a best inhibitor candidate.
منابع مشابه
Synthesis, Antibacterial and Anticancer Evaluation of Some Pyrimidine Derivatives
Abstarct: A series of some new pyrimidine derivatives were synthesized via the reaction of ethyl cyanoacetate with thiourea and the appropriate aldehydes namely 2-methyl-benzaldehyde and 2-methoxy-benzaldehyde to give 1a,b. Compounds 1a,b were chlorinated to give the chloro compounds 2a,b then condensation of 2a,b via different reagents gave compounds 3-5. Compound 4b reacted with acetic anhydr...
متن کاملSynthesis and antibacterial activity of triazole and isoxazole derivatives of ampicillin.
In order to improve the antibacterial activity of ampicillin, new penicillin derivatives having a 1-aryltriazole-4-carboxamide group or a 5-arylisoxazole-3-carboxamide group at the alpha-position of benzylpenicillin or p-hydroxybenzylpenicillin were synthesized. Some compounds in these series were found to possess high activity against Pseudomonas and other Gram-negative bacteria. In addition, ...
متن کاملScreening of Anticancer Activity in Newly Synthesized Benzothiazole Derivatives
In present study novel series of benzothiazole derivatives were synthesized and their anti cancer efficacy was analyzed using cancer cell lines (Human Chronic Myelogenous Leukemia). The compounds were synthesized by simple and facile procedures and characterized by IR, H-NMR and Mass spectra study. The synthesized compounds were screened for anti cancer activity using in vitro assays. The compo...
متن کاملTheoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene
The spectroscopic properties of the 2,2,6,6-tetramethyl-piperidine-1-oxyl (TEMPO) radicalderivatives of the fullerene (C60) were theoretically investigated. The ground state optimizedstructures of the radical adducts of the fullerene were calculated by using DFT (B3LYP) with 6-31G(d) level. It was concluded that a 6-6 ring junction of C60 moiety generally covalently links to thepiperidine ring ...
متن کاملNovel thiophene derivatives with sulfonamide, isoxazole, benzothiazole, quinoline and anthracene moieties as potential anticancer agents.
A novel series of thiophenes having biologically active sulfonamide 2-11, 3-methylisoxazole 12, 4-methoxybenzo[d] thiazole 13, quinoline 14, 15, benzoylphenylamino 16, and anthracene-9,10-dione 17 moieties were prepared. Structures of the newly synthesized compounds were established by elemental analysis and spectral data. All newly synthesized compounds were evaluated for their in vitro antica...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Turkish computational and theoretical chemistry
سال: 2023
ISSN: ['2587-1722', '2602-3237']
DOI: https://doi.org/10.33435/tcandtc.1270359