IUCr journals

Solid-state tautomeric structure and invariom refinement of a novel and potent HIV integrase inhibitor

Acta Cryst. (2013). C69, 285-288 (http://doi.org/ksh)

[Electron-density plot]

HIV-1 integrase catalyzes the integration of viral DNA into human chromosomal DNA, which is the 'point of no return' in an HIV infection. The conformation and tautomeric structure of a potent and novel integrase inhibitor with potential for HIV/AIDS therapeutics has been resolved. The electron-density distribution derived from invariom model scattering factors was a faithful mapping of the electron density in the crystal. The electrostatic potential of this molecule derived from the electron density could provide information on this molecule's ability to inhibit the activity of the integrase.

J. Bacsa, M. Okello, P. Singh and V. Nair