Concise Article
MedChemComm
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Fig. 4 CoMFA contour maps for a-aminophosphonates: (A) steric
field, (B) electrostatic field distribution around highly active
compound 1.
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compounds displayed potent inhibitory activity in the low (7.1–
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J774A-1 macrophages) prole similar to that of the standard
drug amphotericin B. To establish the 3D structure–activity
relationship, CoMFA models were derived using the (R)- and (S)-
stereoisomeric/enantiomeric forms of the a-aminophosphonate
and the (S)-form generated the best predictive model. The
CoMFA model generated based on the obtained biological data
provides inference that there is further scope for modifying ring
A with an electronegative substituent at the para position and a
bulky electropositive substituent at the meta position. The
present study suggests that substitution of ring B with various
substituted heterocyclic rings could provide future scope for
further exploring the a-aminophosphonate class of compounds
as potential anti-leishmanial agents.
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