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Recent reports of dual FTI-GGTIs:
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0037025468
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Tucker T.J., Abrams M.T., Buser C.A., Davide J.P., Ellis-Hutchings M., Fernandes C., Gibbs J.B., Graham S.L., Hartman G.D., Huber H.E., Liu D., Lobell R.B., Lumma W.C., Robinson R.G., Sisko J.T., Smith A.M. Bioorg. Med. Chem. Lett. 12:2002;2027.
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A model of the FPTase active site containing FPP was derived from the 1LD8 pdb entry (ref 12b). Random conformations of 3o were generated using the distance geometry method JG (S. Kearsley, Merck & Co., Inc., unpublished). These conformations were energy minimized in the static active site using Batchmin and the MMFFs force field, while restraining the Zn-ligating nitrogen to its crystallographic position. The lowest energy structure is shown
-
A model of the FPTase active site containing FPP was derived from the 1LD8 pdb entry (ref 12b). Random conformations of 3o were generated using the distance geometry method JG (S. Kearsley, Merck & Co., Inc., unpublished). These conformations were energy minimized in the static active site using Batchmin and the MMFFs force field, while restraining the Zn-ligating nitrogen to its crystallographic position. The lowest energy structure is shown.
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21
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0037030606
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Bell I.M., Gallicchio S.N., Abrams M., Beese L.S., Beshore D.C., Bhimnathwala H., Bogusky M.J., Buser C.A., Culberson J.C., Davide J., Ellis-Hutchings M., Fernandes C., Gibbs J.B., Graham S.L., Hamilton K.A., Hartman G.D., Heimbrook D.C., Homnick C.F., Huber H.E., Huff J.R., Kassahun K., Koblan K.S., Kohl N.E., Lobell R.B., Lynch J.J. Jr., Robinson R., Rodrigues A.D., Taylor J.S., Walsh E.S., Williams T.M., Zartman C.B. J. Med. Chem. 45:2002;2388.
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