Topic
Benzopyran
About: Benzopyran is a research topic. Over the lifetime, 1889 publications have been published within this topic receiving 15235 citations.
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TL;DR: The photochromic behavior of 3,3-bis[4-(N,N-dimethylamino)phenyl]-3 H -naphtho[2,1-b]pyran (2 ) and 2,2-bis]2 H -1-benzopyran(3 ) has been studied by flash photolysis as mentioned in this paper.
20 citations
TL;DR: In this paper, the synthesis of the title compound, a possible reactive intermediate responsible for the biological activity of precocene 1, is described, and the synthesis is described in detail.
Abstract: The synthesis of the title compound, a possible reactive intermediate responsible for the biological activity of precocene 1, is described.
20 citations
Patent•
23 Jan 1986
TL;DR: In this paper, the 4H-1-benzopyran-4-ones and their sulfur containing analogs are disclosed which are efficacious for the treatment of psychosis including schizophrenia.
Abstract: Novel 4H-1-benzopyran-4-ones and their sulfur containing analogs are disclosed which are efficacious for the treatment of psychosis including schizophrenia.
20 citations
TL;DR: Among the substituents at 4' position examined, the most favourable for inhibitory activity are those able to act as hydrogen bond donors, supporting the hypothesis of the importance of the interaction with Thr113 for the inhibition of the enzyme.
20 citations
TL;DR: The combined approach of ligand-based and structure-based models provided an improved understanding in the interaction between benzopyran chemical class and COX-2 inhibition, which will guide the future identification of more potent anti-inflammatory drugs.
Abstract: The Gaussian-based 3D-QSAR studies for 58 selective COX-2 (cyclooxygenase-2) inhibitors belonging to benzopyran chemical class were performed. Partial least squares analysis produced statistically significant model with (R
training
2
= 0.866) and predictability (Q
training
2
= 0.66, Q
test
2
= 0.846). The 3D-QSAR model includes steric, electrostatic, hydrophobic, and hydrogen bond acceptor field indicators, whereas the potential field contributions indicate that the steric and hydrophobic features of the molecules play an important role in governing their biological activity. A molecular docking simulation and protein–ligand interaction pattern analysis reveal the importance of Tyr-361 and Ser-516 of the COX-2 active site for X-ray crystal structures and this class of molecules. Thus the combined approach of ligand-based and structure-based models provided an improved understanding in the interaction between benzopyran chemical class and COX-2 inhibition, which will guide the future identification of more potent anti-inflammatory drugs.
20 citations