| 학회 |
한국화학공학회 |
| 학술대회 |
2017년 가을 (10/25 ~ 10/27, 대전컨벤션센터) |
| 권호 |
23권 2호, p.1931 |
| 발표분야 |
열역학 |
| 제목 |
Molecular Modeling and Analysis of Carbamazepine Co-crystal |
| 초록 |
The co-crystallization technique of carbamazepine has researched to improve properties of the active pharmaceutical ingredient (API). In this work, carbamazepine is co-crystallized with antioxidant polyphenols as co-formers. Cocrystal was synthesized by using drowning out crystallization method. 7-hydroxyflavanone (F), pinocembrin (P) and naringenin (N) can form co-crystal with carbamazepine but 7-hydroxyflavone (FV), chrysin (C) and apigenin (A) did not produce co-crystal although these polyphenols have little difference with F, P, N. The only difference is a chemical bond in one of their rings. Molecular modeling is used to calculate different properties and analyze probability as a co-former. Dissolution mechanism of carbamazepine-Naringenin co-crystal was also investigated by using molecular dynamic simulation. |
| 저자 |
조아영1, 이청천2, 이종휘2, 유성식3, 강정원1
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| 소속 |
1고려대, 2중앙대, 3한국기술교육대 |
| 키워드 |
열역학 |
| E-Mail |
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| 원문파일 |
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