Tropical Journal of Pharmaceutical Research

Original Research Article | OPEN ACCESS

Prediction and Theoretical Investigation of the Morphology of Erythromycin Dihydrate Crystals

Yan Zhang

Key Laboratory of Food Nutrition and Safety (Tianjin University of Science and Technology), Ministry of Education, Tianjin 300457, PR China;

For correspondence:- Email: cpzyyan@126.com

Received: 20 March 2014 Accepted: 1 May 2014 Published: 26 June 2014

Citation: Zhang Y. Prediction and Theoretical Investigation of the Morphology of Erythromycin Dihydrate Crystals. Trop J Pharm Res 2014; 13(6):829-834 doi: 10.4314/tjpr.v13i6.1

© 2014 The authors.
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Abstract

Purpose: To predict and theoretically investigate the morphology of erythromycin dihydrate crystals.

Methods: The crystal morphology of erythromycin dihydrate was predicted using the Bravais-Friedel-Donnay-Harker (BFDH) and attachment energy (AE) models of molecular simulation software, Cerius², in vacuo.

Results: The morphology predicted by the two models is approximately consistent. The morphology predicted by AE model was in good agreement with the morphology of crystals grown from solution. The main crystal faces {002}, {101}, {011} and {012} were observed in the morphology predicted by AE model. By cleaving revealable crystal faces in the morphology predicted by AE model, surface chemistry visualization and theoretical analysis based on interaction of H-band net formed in intra-molecules or inter-molecules for important morphological forms were performed.

Conclusion: The results show that H-band interaction plays a critical role in the plate-like morphology of erythromycin dihydrate, which is in accordance with the theory of Periodic Bond Chain (PBC).

Keywords: Erythromycin dihydrate, Morphology prediction, Theoretical investigation, Molecular simulation