AI Article Synopsis
- Torsional scans of S-C bonds in arylsulfonamide factor Xa inhibitors were conducted to study conformational effects on biological activity.
- Computational data matched well with experimental findings, confirming the significance of sulfonamide conformation in affecting activity.
- Understanding these conformational influences may help rationalize the structure-activity relationship (SAR) in this series of inhibitors.
Article Abstract
Torsional scans of sulfonamide S-C bonds in small model systems of a series of arylsulfonamide factor Xa inhibitors were performed in order to investigate if conformational effects can help to rationalise the observed SAR. Computational results were in good agreement with the experimental data indicating that the sulfonamide conformation plays an important role in determining the activity in this particular series of factor Xa inhibitors.
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| http://dx.doi.org/10.1016/j.bmcl.2006.08.092 | DOI Listing |
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