In-silico study on biomolecules derived from Cissus quadrangularis towards anti-inflammation

Area of Science:

• Biochemistry
• Pharmacology
• Computational Biology

Background:

• CD 163 protein, a macrophage scavenger receptor, is a biomarker for inflammation.
• Cissus quadrangularis possesses anti-inflammatory and osteogenic properties, making it a candidate for drug development.
• Understanding the molecular interactions of Cissus quadrangularis compounds with CD 163 is crucial for developing anti-inflammatory therapies.

Purpose of the Study:

• To investigate the in silico interaction between Cissus quadrangularis phytonutrients and CD 163 protein.
• To establish the potential anti-inflammatory activity of Cissus quadrangularis through computational analysis.
• To identify potential drug leads for inflammatory diseases based on Cissus quadrangularis compounds.

Main Methods:

• Phytonutrients from Cissus quadrangularis (β-Sitosterol, luteolin, piceatannol, quadrangualrin, resveratrol, tannins) were selected.
• Molecular docking simulations were performed using Autodock 4.0 PyRx software.
• Binding affinity and drug-likeness of the compounds were assessed.

Main Results:

• The study identified significant binding affinity between Cissus quadrangularis biomolecules and CD 163 protein.
• Drug-likeness properties were observed for the tested phytonutrients.
• These findings suggest a molecular basis for the anti-inflammatory effects of Cissus quadrangularis.

Conclusions:

• Biomolecules from Cissus quadrangularis demonstrate anti-inflammatory potential through interaction with CD 163.
• These compounds warrant further in vitro investigation for potential therapeutic applications.
• Cissus quadrangularis serves as a promising source for novel anti-inflammatory drug discovery.