Crystal Morphology Prediction of Hydrocortisone

Hydrocortisone(HC),an important grucocorticoid,is not only one of the most effective antiphlogis- tic and immune-suppressive substance with instant effect,but low-dosage,long-term treatment,and clear anti- proliferative effects on the cartilage and bone destroying pannus in rheumatoid arthritis.It was crystallized from methanol solvent in approximate shape of a cube,and the long parallelepiped morphology was also predicted by Cerius~2 simulation software.The result by attachment energy(AE)model is better than that by BFDH,as the influence of intermolecular interactions is taken into account in the attachment energy model.The morphology calculation results,which are performed on the potential energy minimized model using generic DREIDING 2.21 force field and developed minimization protocol with the derived partial charges,fit the experimental crystal shape well.