Table 4 Relative anti-inflammatory activity (designated as NO inhibition), and computational analysis of physicochemical and pharmacokinetic properties.

From: Decoding the anti-inflammatory properties of sesquiterpene coumarins from the active fractions of Ferula assa-foetida through integrated experimental and in silico analyses

Compound

NO inhibition (10 ÎĽM)

LogP

H-bond acceptors

H-bond donors

Pgp substrate

CYP1A2 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

1

 +  + 

4.86

3

0

No

Yes

Yes

No

No

2

 +  + 

6.59

3

0

ND

ND

ND

ND

ND

3

 + 

5.43

5

1

No

No

Yes

No

Yes

4

 +  +  + 

4.20

5

1

Yes

No

No

Yes

Yes

  1. ND: could not be determined by SwissADME database.
  2. The symbols (+ , +  + , +  + +) indicate different levels of activity: low, moderate, and high, respectively.
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