ROLE OF ARRAY OF OXYGEN-ATOMS OF ARTEMISININ IN THE ANTIMALARIAL ACTIVITY .1. MOLECULAR MODELING STUDIES TO INVESTIGATE COMPOUNDS WITH ARTEMISININ-LIKE ARRAY OF OXYGEN-ATOMS
Jb. Bhonsle, ROLE OF ARRAY OF OXYGEN-ATOMS OF ARTEMISININ IN THE ANTIMALARIAL ACTIVITY .1. MOLECULAR MODELING STUDIES TO INVESTIGATE COMPOUNDS WITH ARTEMISININ-LIKE ARRAY OF OXYGEN-ATOMS, Indian journal of chemistry. Sect. B: organic chemistry, including medical chemistry, 34(5), 1995, pp. 380-388
The energy-minimised conformers of compounds 15 to 40 have been built
on the computer using QUANTA and CHARMm softwares and compared with ar
temisinin (1) for similarities in the stereochemical disposition of ox
ygen atoms. The distances between oxygen atoms in these compounds and
in 1, and the closeness of the fit of each individual compound with 1
have been tabulated. Photographs of the raster displays of the compoun
ds exhibiting best fit are presented.