| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383686 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠We have used QM/MM MD simulations to study the inhibition mechanism of GAPDH. ⺠The mechanism comprises a type of SN2 process. ⺠The NAD+ plays an important role in stabilization of the GAPDH-IAA complex. ⺠The results can be used for design of new GAPDH Trypanosoma cruzi inhibitors.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Agnaldo Silva Carneiro, Jerônimo Lameira, Cláudio Nahum Alves,