A computational molecular approach on chitosan vehicle for metformin
Publish place: Iranian Chemical Communication، Vol: 7، Issue: 4
Publish Year: 1398
نوع سند: مقاله ژورنالی
زبان: English
View: 390
This Paper With 10 Page And PDF Format Ready To Download
- Certificate
- من نویسنده این مقاله هستم
استخراج به نرم افزارهای پژوهشی:
شناسه ملی سند علمی:
JR_ICC-7-4_003
تاریخ نمایه سازی: 23 تیر 1398
Abstract:
Density functional theory (DFT) calculations have been performed to study properties of chitosan (Chit) as a possible vehicle for carrying metformin (Met) drug. To this aim, the singular molecules of Met and Chit have been first optimized and sixteen possible bimolecular complexes have been subsequently constructed and optimized to obtaine the stabilized interacting structures. Two bimolecular complex have been seen as the most powerful interacting systems among all complexes. N5 and N8 atoms of Met are very much important atoms for interacting with Chit counterpart. Molecular parameters such as molecular orbital energies and dipole moments approved the effects of interations on both Chit and Met counterparts. Atomic scale quadrupole coupling constants demonstrated the effects of interactions on the electronic atomic sites. As a final remark, although the Chit could be used as a vehicle for Met; but further investigations are still required to see what’s happening inside the molecular systems.
Keywords:
Authors
Mahmoud Mirzaei
Department of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, Iran
Oguz Gulseren
Department of Physics, Bilkent University, Ankara, Turkey
Elham Jafari
Department of Medicinal Chemistry, Isfahan University of Medical Sciences, Isfahan, Iran
Mehdi Aramideh
Department of Medicinal Chemistry, Isfahan University of Medical Sciences, Isfahan, Iran
مراجع و منابع این Paper:
لیست زیر مراجع و منابع استفاده شده در این Paper را نمایش می دهد. این مراجع به صورت کاملا ماشینی و بر اساس هوش مصنوعی استخراج شده اند و لذا ممکن است دارای اشکالاتی باشند که به مرور زمان دقت استخراج این محتوا افزایش می یابد. مراجعی که مقالات مربوط به آنها در سیویلیکا نمایه شده و پیدا شده اند، به خود Paper لینک شده اند :