PMID- 15006380
OWN - NLM
STAT- MEDLINE
DCOM- 20041028
LR  - 20191210
IS  - 0960-894X (Print)
IS  - 0960-894X (Linking)
VI  - 14
IP  - 6
DP  - 2004 Mar 22
TI  - HIV-1 integrase pharmacophore model derived from diverse classes of inhibitors.
PG  - 1447-54
AB  - A three-dimensional pharmacophore model has been generated for HIV-1 integrase 
      (HIV-1 IN) from known inhibitors. A dataset consisting of 26 inhibitors was 
      selected on the basis of the information content of the structures and activity 
      data as required by the catalyst/HypoGen program. Our model was able to predict 
      the activity of other known HIV-1 IN inhibitors not included in the model 
      generation, and can be further used to identify structurally diverse compounds 
      with desired biological activity by virtual screening.
FAU - Mustata, Gabriela Iurcu
AU  - Mustata GI
AD  - Department of Biology and Biochemistry, University of Houston, Houston, TX 
      77204-5001, USA.
FAU - Brigo, Alessandro
AU  - Brigo A
FAU - Briggs, James M
AU  - Briggs JM
LA  - eng
GR  - GM56553/GM/NIGMS NIH HHS/United States
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
PT  - Research Support, U.S. Gov't, P.H.S.
PT  - Validation Study
PL  - England
TA  - Bioorg Med Chem Lett
JT  - Bioorganic & medicinal chemistry letters
JID - 9107377
RN  - 0 (HIV Integrase Inhibitors)
RN  - EC 2.7.7.- (HIV Integrase)
SB  - IM
MH  - HIV Integrase/*metabolism
MH  - HIV Integrase Inhibitors/*chemistry/*metabolism
MH  - *Models, Molecular
EDAT- 2004/03/10 05:00
MHDA- 2004/10/29 09:00
CRDT- 2004/03/10 05:00
PHST- 2003/09/29 00:00 [received]
PHST- 2004/01/09 00:00 [revised]
PHST- 2004/01/14 00:00 [accepted]
PHST- 2004/03/10 05:00 [pubmed]
PHST- 2004/10/29 09:00 [medline]
PHST- 2004/03/10 05:00 [entrez]
AID - S0960894X04000824 [pii]
AID - 10.1016/j.bmcl.2004.01.027 [doi]
PST - ppublish
SO  - Bioorg Med Chem Lett. 2004 Mar 22;14(6):1447-54. doi: 10.1016/j.bmcl.2004.01.027.