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<p>It has been long known that multiple administration of some drugs could have the potential to produce drug-drug interactions which can either promote the effect of the drugs or might yield undesirable ramifications. Therefore, in the framework of this study, possible interactions between two highly prescribed drugs, escitalopram and metformin and the results of their interactions have been examined. Further, the activities of the drugs and their interacted forms were investigated by using a comprehensive theoretical based approaches such as the examination of structure-reactivity relationship, drug-likeness, medicinal properties and molecular docking simulations. In the docking studies, 6HIS and 1HNY proteins were considered as the targets for escitalopram and metformin, respectively. The interactions between metformin and escitalopram with silicon and boron doped fullerenes were also investigated to enlighten the possible interaction mechanism and the capacity of silicon and boron doped fullerene systems as possible drug delivery agents for the controlled delivery implementations. The findings of this work also provide concrete evidence as to possible escitalopram and metformin interactions and the different behaviors of their interacted forms towards to 6HIS and 1HNY proteins. Further, according to the results of this work, boron and silicon modified fullerene stands out as a possible controlled drug delivery agent with its appropriate properties.</p>

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A computational Exploration of Escitalopram and Metformin Interactions and their Delivery Trials with B and Si-Modified Fullerenes for Controlled Release

  • 期刊论文

  • 发表日期：

    2026年2月28日

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  • Yakup Can Nazlıgül,
  • Özgür Alver,
  • Cemal Parlak

摘要

It has been long known that multiple administration of some drugs could have the potential to produce drug-drug interactions which can either promote the effect of the drugs or might yield undesirable ramifications. Therefore, in the framework of this study, possible interactions between two highly prescribed drugs, escitalopram and metformin and the results of their interactions have been examined. Further, the activities of the drugs and their interacted forms were investigated by using a comprehensive theoretical based approaches such as the examination of structure-reactivity relationship, drug-likeness, medicinal properties and molecular docking simulations. In the docking studies, 6HIS and 1HNY proteins were considered as the targets for escitalopram and metformin, respectively. The interactions between metformin and escitalopram with silicon and boron doped fullerenes were also investigated to enlighten the possible interaction mechanism and the capacity of silicon and boron doped fullerene systems as possible drug delivery agents for the controlled delivery implementations. The findings of this work also provide concrete evidence as to possible escitalopram and metformin interactions and the different behaviors of their interacted forms towards to 6HIS and 1HNY proteins. Further, according to the results of this work, boron and silicon modified fullerene stands out as a possible controlled drug delivery agent with its appropriate properties.