| Title : 3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA) - Zaheer_2003_Bioorg.Med.Chem.Lett_13_4375 |
| Author(s) : Zaheer ul H , Wellenzohn B , Tonmunphean S , Khalid A , Choudhary MI , Rode BM |
| Ref : Bioorganic & Medicinal Chemistry Lett , 13 :4375 , 2003 |
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Abstract :
We have derived a comprehensive structure-activity relationship (SAR) picture for a new series of natural acetylcholinesterase inhibitors isolated from Sarcococca saligna. A set of 32 previously isolated and tested pregnane-type steroidal alkaloids inhibitors were investigated with respect to their IC(50) values (pIC(50)) against the AChE enzyme in order to derive CoMFA models using atom-based alignment. A highly significant CoMFA model was obtained with r(2) value of 0.974. The q(2) (cross validation r(2)) value also confirms the statistical significance of our model. |
| PubMedSearch : Zaheer_2003_Bioorg.Med.Chem.Lett_13_4375 |
| PubMedID: 14643329 |
Zaheer ul H, Wellenzohn B, Tonmunphean S, Khalid A, Choudhary MI, Rode BM (2003)
3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)
Bioorganic & Medicinal Chemistry Lett
13 :4375
Zaheer ul H, Wellenzohn B, Tonmunphean S, Khalid A, Choudhary MI, Rode BM (2003)
Bioorganic & Medicinal Chemistry Lett
13 :4375