التفاصيل البيبلوغرافية
| العنوان: |
Chiral derivatives of xanthones: Investigation of the effect of enantioselectivity on inhibition of cyclooxygenases (COX-1 and COX-2) and binding interaction with human serum albumin |
| المؤلفون: |
Fernandes C., Palmeira A., Ramos I.I., Carneiro C., Afonso C., Tiritan M.E., Cidade H., Pinto P.C.A.G., Saraiva M.L.M.F.S., Reis S., Pinto M.M.M. |
| بيانات النشر: |
MDPI, 2017. |
| سنة النشر: |
2017 |
| مصطلحات موضوعية: |
albumin, azapropazone, celecoxib, cyclooxygenase 1, cyclooxygenase 2, diazepam, diclofenac, fusidic acid, ibuprofen, indometacin, iophenoxic acid, ketoprofen, naproxen, piroxicam, valdecoxib, warfarin, xanthone derivative, albumin blood level, Article, binding affinity, chirality, computer model, controlled study, drug mechanism, drug protein binding, drug structure, enantioselectivity, enzyme inhibition, fluorescence, human, immunoassay, ligand binding, molecular docking, protein protein interaction, spectrofluorometry |
| الوصف: |
Searching of new enantiomerically pure chiral derivatives of xanthones (CDXs) with potential pharmacological properties, particularly those with anti-inflammatory activity, has remained an area of interest of our group. Herein, we describe in silico studies and in vitro inhibitory assays of cyclooxygenases (COX-1 and COX-2) for different enantiomeric pairs of CDXs. The evaluation of the inhibitory activities was performed by using the COX Inhibitor Screening Assay Kit. Docking simulations between the small molecules (CDXs; known ligands and decoys) and the enzyme targets were undertaken with AutoDock Vina embedded in PyRx—Virtual Screening Tool software. All the CDXs evaluated exhibited COX-1 and COX-2 inhibition potential as predicted. Considering that the (S)-(−)-enantiomer of the nonsteroidal anti-inflammatory drug ketoprofen preferentially binds to albumin, resulting in lower free plasma concentration than (R)-(+)-enantiomer, protein binding affinity for CDXs was also evaluated by spectrofluorimetry as well as in in silico. For some CDXs enantioselectivity was observed. © 2017 by the authors. Licensee MDPI, Basel, Switzerland. |
| نوع الوثيقة: |
journal article |
| وصف الملف: |
application/pdf |
| اللغة: |
English |
| العلاقة: |
14248247 |
| DOI: |
10.3390/ph10020050 |
| الإتاحة: |
https://hdl.handle.net/10216/120430Test |
| حقوق: |
open access |
| رقم الانضمام: |
rcaap.com.UP.repositorio.aberto.up.pt.10216.120430 |
| قاعدة البيانات: |
RCAAP |
