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Kratko priopćenje
https://doi.org/10.2478/v10007-008-0020-5

3D-QSAR studija afiniteta vezanja na receptor za (R,S)-2-amino-3-(3-hidroksi-5-metilizoksazol-4-il)-propansku kiselinu

RITESH N. SHARMA ; S. K. Patel College of Pharmaceutical Education and Research, Ganpat University, Kherva-382711, Gujarat, India
HARDIK THAKAR ; B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre, Thaltej-Gandhinagar Highway, Thaltej, Ahmedabad-380054, Gujarat, India
KAMALA K. VASU ; B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre, Thaltej-Gandhinagar Highway, Thaltej, Ahmedabad-380054, Gujarat, India
SUBHASH C. CHATURVEDI ; School of Pharmacy, Devi Ahilya Vishwavidyalaya, Indore-452017, M.P., India

Puni tekst: engleski, pdf (114 KB) str. 335-345 preuzimanja: 380* citiraj
APA 6th Edition
N. SHARMA, R., THAKAR, H., K. VASU, K. i C. CHATURVEDI, S. (2008). 3D-QSAR studies for the binding affinity toward (R,S)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)-propionic acid receptor. Acta Pharmaceutica, 58 (3), 335-345. https://doi.org/10.2478/v10007-008-0020-5
MLA 8th Edition
N. SHARMA, RITESH, et al. "3D-QSAR studies for the binding affinity toward (R,S)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)-propionic acid receptor." Acta Pharmaceutica, vol. 58, br. 3, 2008, str. 335-345. https://doi.org/10.2478/v10007-008-0020-5. Citirano 14.11.2019.
Chicago 17th Edition
N. SHARMA, RITESH, HARDIK THAKAR, KAMALA K. VASU i SUBHASH C. CHATURVEDI. "3D-QSAR studies for the binding affinity toward (R,S)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)-propionic acid receptor." Acta Pharmaceutica 58, br. 3 (2008): 335-345. https://doi.org/10.2478/v10007-008-0020-5
Harvard
N. SHARMA, R., et al. (2008). '3D-QSAR studies for the binding affinity toward (R,S)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)-propionic acid receptor', Acta Pharmaceutica, 58(3), str. 335-345. https://doi.org/10.2478/v10007-008-0020-5
Vancouver
N. SHARMA R, THAKAR H, K. VASU K, C. CHATURVEDI S. 3D-QSAR studies for the binding affinity toward (R,S)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)-propionic acid receptor. Acta Pharm. [Internet]. 2008 [pristupljeno 14.11.2019.];58(3):335-345. https://doi.org/10.2478/v10007-008-0020-5
IEEE
R. N. SHARMA, H. THAKAR, K. K. VASU i S. C. CHATURVEDI, "3D-QSAR studies for the binding affinity toward (R,S)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)-propionic acid receptor", Acta Pharmaceutica, vol.58, br. 3, str. 335-345, 2008. [Online]. https://doi.org/10.2478/v10007-008-0020-5

Sažetak
U radu je vrednovan afinitet vezanja serije triazolo[1,5-a]kinoksalina na receptor za (R,S)-2-amino-3-(3-hidroksi-5-metilizoksazol-4-il)-propansku kiselinu (AMPA). Djelovanje na AMPA receptor (izraženo kao log IC5O) uzeta je kao zavisna varijabla u modelima usporedne analize molekulskih polja (Comparative Molecular Field Analysis, CoMFA) i usporedne analize molekulske sličnosti (Comparative Molecular Similarity Indices Analysis, CoMSIA). Ti modeli pokazuju kako povećati afinitet vezanja na AMPA receptor, što može biti korisno u terapiji epilepsije. Statistički značajni rezultati ukazuju da je križno validirana r2CV vrijednost za CoMFA model (0,766) veća nego za CoMSIA model (0,758). Koeficijenti r2 za CoMFA model (0,944) i CoMSIA (0,919) ukazuju na dobru korelaciju između izračunatih i eksperimentalno određanih afiniteta vezanja proučavane serije spojeva. Prema oba modela za povećanje afiniteta vezanja i selektivnost spojeva za AMPA receptor značajna su sterička, elektrostatska, hidrofobna (lipofilni) svojstva, te sposobnost stvaranja vodikovih veza.

Ključne riječi
afinitet vezanja; 3D-QSAR; CoMFA; CoMSIA; AMPA receptor

Hrčak ID: 26245

URI
https://hrcak.srce.hr/26245

[engleski]

Posjeta: 677 *