1,4-Benzothiazine and 1,4-benzoxazine imidazole derivatives with antifungal activity: a docking study |
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Authors: | Macchiarulo Antonio Costantino Gabriele Fringuelli Daniele Vecchiarelli Anna Schiaffella Fausto Fringuelli Renata |
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Institution: | Department of Drug Chemistry and Technology, Via del Liceo 1, University of Perugia, Perugia, Italy. |
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Abstract: | We have recently described the synthesis and antifungal activity of a series of 1,4-benzothiazine and 1,4-benzoxazine imidazole derivatives that mainly showed in vivo activity against a murine experimental model of candidiasis but that very often lacked in vitro activity. Here, we report a docking study of a representative set of our molecules in a 3D model of CYP51 of Candida albicans (CA-CYP51). The model was constructed on the basis of the sequence homology relationship with the recently reported crystal structure of the CYP51 of Mycobacterium tuberculosis (MT- CYP51). |
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