Modeling of the structure of mineral carriers of medicinal substances


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Abstract

Relevance. The study of the structure and properties of medical clays obtained from medicinal mineral raw materials is an important scientific task. An indisputable assistant in solving this problem is computer 3D modeling of an elementary cell. The purpose of the work is to model the structure of mineral carriers of medicinal substances. Material and methods. Kaolin from the Eleninsky deposit, montmorillonite clay from the Belgorod deposit, and zeolites from the Kholinsky deposit were used as research objects. The construction of virtual three-dimensional molecular models of mineral substances was carried out using the Java Applet Jmol program. Results. Virtual three-dimensional models of Kaolinite, Montmorillonite and Clinoptilolite were obtained. Their analysis was carried out. It has been established that a system of intracrystalline pores and cavities is formed in Montmorillonite and Clinoptilolite, in which occlusion and adsorption of drug molecules of the appropriate size can occur. Conclusion. Medical clays can be used to create mineral carriers of medicinal substances in which the immobilization, delivery and isolation of the drug molecule occurs through sorption processes in the pores. Based on the results of the study, the use of Montmorillonite and Clinoptilolite medical clays for obtaining mineral carriers is justified. Conflict of interest: There is no conflict of interest.

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About the authors

A. V Bondarev

Regional State Budgetary Healthcare Institution "Shebekinskaya Central District Hospital"

Author for correspondence.
Email: alexbond936@yandex.ru
Ph.D. (Pharm.)

E. T Zhilyakova

Belgorod State National Research University

Email: ezhilyakova@bsu.edu.ru
Dr.Sc. (Pharm.), Professor, Department of Pharmaceutical Technology

N. V Avtina

Belgorod State National Research University

Email: avtina@bsu.edu.ru
Ph.D. (Pharm.), Associate Professor, Department of Pharmaceutical Technology

O. O Novikov

Medical University "Reaviz"

Email: ole9222@yandex.ru
Dr.Sc. (Pharm.), Professor, Department of Pharmacy

References

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  7. Бушуев Ю.Г. Цеолиты. Компьютерное моделирование цеолитных материалов. Иваново: Ивановский государственный химико-технологический университет. 2011; 104 с.

Supplementary files

Supplementary Files
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1. JATS XML
2. Fig. 1. Diffractograms of the studied samples: a – kaolinite clay; b – montmorillonite clay; c - clinoptilolite clay (vertically - radiation intensity, horizontally - measurement step)

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3. Fig. 2. 3D structures of the studied samples: a – kaolinite; b – montmorillonite; c – clinoptilolite

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