Hamit Alyar, Saliha Alyar, MOHAMMED HABEEB TUAIMAH ALMOHAMMED

Broschiertes Buch

DFT AND ADME STUDIES ON NEW SULFONAMIDE COMPOUND

SPECTROSCOPIC, ELECTRONIC AND ADME STUDY ON NEW SULFONAMIDE COMPOUND

Beschreibung

Sulfonamides or "sulfa drugs" are a group of drugs used to treat bacterial infections. They may be prescribed to treat urinary tract infections, bronchitis, eye infections, bacterial meningitis, pneumonia, ear infections, severe burns, traveler's diarrhea, and other conditions. In this study, stable structure of 4- ((6,7-dihydroxy-2-oxo-2H-chromen-4-yl) methylamino) -N-(3,4-dimethyloxoazol-5-yl) benzenesulfonamide compound was obtained by performing geometry optimization calculation and bond lengths, bond angles and torsion angles were determined. These structural parameters were compared with similar molecules found in the literature. Then, its spectroscopic properties such as FT-IR, 1H-NMR and 13C-NMR were calculated theoretically. The vibrational frequencies of the compound were assigned. The calculated theoretical results were compared with the experimental data. Finally, the electronic energies, dipole moments, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) energies, polarizability and hyperpolarizability values of the studied compound were calculated and it was determined whether it exhibits drug properties in ADME work was carried out.

Autor

Prof. Dr. Hamit ALYAR was born in Reyhanl¿, TÜRK¿YE. He received his B.A. from Atatürk University. He worked as Resarch Assistant at Dumlup¿nar University until 2006. In 2010, he started as Assistant Prof. Dr. at Çank¿r¿ Karatekin University. He became Prof. Dr. in 2019. He is married and has two kids.

Produktdetails

• Verlag: LAP Lambert Academic Publishing
• Seitenzahl: 56
• Erscheinungstermin: 16. Oktober 2024
• Englisch
• Abmessung: 220mm x 150mm x 4mm
• Gewicht: 102g
• ISBN-13: 9786208118273
• ISBN-10: 6208118271
• Artikelnr.: 72067596