| Name | cytochrome P450 2A6 |
|---|---|
| Synonyms | CPA 6; CPA6; Flavoprotein linked monooxygenase; CYP2A; P450C2A; P450PB; CYP2A3; CYP2A6… |
| Name | naphthalene |
|---|---|
| CAS | naphthalene |
| PubMed | Abstract | RScore(About this table) | |
|---|---|---|---|
| 16428131 | Asikainen AH, Ruuskanen J, Tuppurainen KA: Alternative QSAR models for selected and cytochrome P450 ligands: comparison between classical, spectroscopic, CoMFA and GRID/GOLPE methods. SAR QSAR Environ Res. 2005 Dec;16(6):555-65. The performance of the spectroscopic EVA (eigenvalue) and EEVA (electronic eigenvalue) methods was tested with data sets applying 7-hydroxylation inhibitors (28 compounds) for cytochrome P450 mouse CYP2A5 and human CYP2A6 enzymes and 11ss-, 16a-, and 17a-substituted derivatives (30 compounds) for the lamb uterine estrogen receptor, and compared with the performance of the classical Hansch-type, CoMFA and GRID/GOLPE methods. |
1(0,0,0,1) | Details |
| 19110342 | Roy K, Roy PP: Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques. Eur J Med Chem. 2009 May;44(5):1941-51. Epub 2008 Dec 3. A series of naphthalene and non-naphthalene derivatives (n=42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. |
84(1,1,1,4) | Details |
| 20336802 | Ai C, Li Y, Wang Y, Li W, Dong P, Ge G, Yang L: Investigation of binding features: Effects on the interaction between CYP2A6 and inhibitors. J Comput Chem. 2010 Mar 24. A computational investigation has been carried out on CYP2A6 and its naphthalene inhibitors to explore the crucial molecular features contributing to binding specificity. |
5(0,0,0,5) | Details |
| 19104915 | Leong MK, Chen YM, Chen HB, Chen PH: Development of a new predictive model for interactions with human cytochrome P450 2A6 using pharmacophore ensemble/support vector machine (PhE/SVM) approach. Pharm Res. 2009 Apr;26(4):987-1000. Epub 2008 Dec 23. In addition, this in silico model performed equally well for those molecules in the external validation sets, namely one set of and naphthalene derivatives (n = 45, r (2) = 0.81, RMSE = 0.46) and one set of amine neurotransmitters (n = 4, r (2) = 0.98, RMSE = 0.32). |
4(0,0,0,4) | Details |