Depression is a mental disorder which affects mood and pleasure and it is also affected by social, biological and psychological. Diagnosis and treatment of depression can improve the lives of sad people and their families and make them happier and more productive. At the time of COVID-19 pandemic which significantly increased the incidence and prevalence of anxiety and depression round the globe, there are significantly increased uses of these medications preoperatively. The current study aims is to develop quantitative structure-activity relationship (QSAR) and pharmacophore models based on compounds pharmacophoric distances, calculated using pharmacophoric features. In the present study, 36 Tricyclic antidepresent (TCA) compounds showing antidepressant activities were gathered from the published literature. Quantitative structure pharmacophore-activity relationship (QSPAR) was developed by taking calculated pharmacophoric distances and biological activity. Developed Triangular tropograph ∆ABD (distance based) has shown significant distance based pharmacophore model responsible for antidepressant activities. The significant regression coefficient (R = 0.53) between biological activity and compounds pharmacophoric distances has been obtained. The proposed pharmacophoric designed model of effective congenric antidepressant drugs could benefit from using distance-based topography.

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Quantitative Structure Pharmacophore–Activity Relationship of Tricyclic Antidepressant (TCAs) Utilizing Distance–Based Features

  • Sisir Nandi,
  • Shuaib Hussain,
  • Sandhya Dharkiya,
  • Rukayya,
  • Ankita Sharma

摘要

Depression is a mental disorder which affects mood and pleasure and it is also affected by social, biological and psychological. Diagnosis and treatment of depression can improve the lives of sad people and their families and make them happier and more productive. At the time of COVID-19 pandemic which significantly increased the incidence and prevalence of anxiety and depression round the globe, there are significantly increased uses of these medications preoperatively. The current study aims is to develop quantitative structure-activity relationship (QSAR) and pharmacophore models based on compounds pharmacophoric distances, calculated using pharmacophoric features. In the present study, 36 Tricyclic antidepresent (TCA) compounds showing antidepressant activities were gathered from the published literature. Quantitative structure pharmacophore-activity relationship (QSPAR) was developed by taking calculated pharmacophoric distances and biological activity. Developed Triangular tropograph ∆ABD (distance based) has shown significant distance based pharmacophore model responsible for antidepressant activities. The significant regression coefficient (R = 0.53) between biological activity and compounds pharmacophoric distances has been obtained. The proposed pharmacophoric designed model of effective congenric antidepressant drugs could benefit from using distance-based topography.