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GreenMolBD: Nature Derived Bioactive Molecules' Database.

S M Zahid Hosen1, Md Junaid1, Muhammad Shaiful Alam1

  • 1Molecular Modeling Drug Design and Discovery Laboratory, Pharmacology Research Division, BCSIR Laboratories Chattogram, Bangladesh Council of Scientific and Industrial Research, Chattogram, Bangladesh.

Medicinal Chemistry (Shariqah (United Arab Emirates))
|November 30, 2021
PubMed
Summary

Researchers developed Green-MolBD, a database of medicinal plants from Bangladesh, offering insights into bioactive compounds for drug discovery. This resource aids in identifying potential drug candidates from natural sources.

Keywords:
Bangladeshi plant databasePlant databasecompound databasein silico propertiesnatural productspharmacological evidence

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Area of Science:

  • Phytochemistry
  • Pharmacology
  • Bioinformatics

Background:

  • Naturally derived compounds are crucial for new drug development.
  • Plant-derived molecules are of significant interest to pharmaceutical companies.
  • Comprehensive data on plant constituents aids in identifying drug leads.

Purpose of the Study:

  • To develop Green-MolBD, a dynamic database of medicinal plants.
  • To consolidate information on plant profiles, chemical constituents, and pharmacological evidence.
  • To provide in silico data including quantum, drugability, and biological target information for phytoconstituents.

Main Methods:

  • Data mining from literature and books.
  • In silico analysis using various software and servers.
  • Database integration using MySQL, HTML, PHP, and JavaScript.

Main Results:

  • GreenMolBD is freely accessible and searchable by multiple parameters.
  • Detailed plant and compound profiles include physical, quantum, drug-likeness, and toxicity properties (48 descriptors).
  • Incorporates 1846 targets linked to 6,864 compounds.

Conclusions:

  • GreenMolBD is the first evidence-based database of bioactive molecules from Bangladeshi medicinal plants.
  • Facilitates exploration and rational drug discovery inspired by nature.
  • Supports researchers in identifying novel drug candidates from natural sources.