ImmunoCR
A repository of plant based immunomodulatory compounds
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Nutraceutical Profile

ImmunCR Id : ICR90
Chemical Name : Diallyl disulphide (DADS)
Plant Source : Allium species
Nutraceutical information : Edible, Garlic
Mode of administration : Oral
Immunomodulatory mechanism : Anti-inflammatory (supressess NF-kb p65 activity, prostaglandin E2, degrades ikb, inhibits GSK (glycogen synthase kinase)-3β, inos, COX-2, IL-6, TNF-α, IL-1β); Antioxidant (activates GST, HO-1, SOD, upregulates Nrf2); Antibacterial ( inhibits biofilm formation , downregulates virulance factors like pyocyanin, elastase); Cardioprotective (suppresses MMP-1 activation, VEGF expression, upregulates connexin 43, COX-2, prostacyclin, P13K/Akt pathway, downregulates MMP-9 inhibits angiotensin -converting enzyme, enos inactivation); Neuroprotective (inhibits H2S/BDNF/Nrf2 pathway, regulates GSK-3β pathway, upregulates sappα (soluble amyloid precursor protein α)); Anti-cancer (inhibits MMP-9/7/2, β-catenin, Rac-1, Rho kinase-1, LIMK1-cofilin-1 pathway, p21 activated kinase -1, G2/M phase cell cycle arrest, downregulates chemokine ligand 2 release, Bcl-2, CD33, activates p53/p21 signaling pathway, SAPK/JNK pathway, caspase-3/9/10, upregulates p21, p53 protein and mrna expression, p38, Bax, Bad acetylation of H3 and H4 (histone 4), CDKN1A, Ca2+ levels, ROS, CD11b)
Description : DADS is an oil soluble allyl sulfur compound extracted from garlic and is used for multiple therapeutic effects.

Chemical Structure Information

IUPAC Name  3-(prop-2-enyldisulfanyl)prop-1-en
SMILES C=CCSSCC=C
Formula C6H10S2
InchiKey PFRGXCVKLLPLIP-UHFFFAOYSA-N

Chemical Classification

Kingdom Organic compounds
Superclass Organosulfur compounds
Class Allyl sulfur compounds
Subclass ---

Physicochemical properties

LogP 2.619
Molecular weight 146.274
Hydrogen Bond Acceptor 2
Hydrogen Bond Donor 0
Polar surface area 0
No. of rotatable bonds 5
Number of Aromatic Rings 0
Number of rings 0

ADMET Properties

Absorption level Moderate
Solubility level Very Soluble
Blood Brain Barrier High
Plasma protein binding Non-Binder
CYP2D6 inhibition Non-Inhibitor

Other Biological Properties

  • Anti-fungal, Anti-viral, Glucose metabolism

References

    1. https://doi: 10.1016/B978-0-12-394591-4.00004-0
    2. https://doi.org/10.1155/2021/5103626
    3. https://doi.org/10.1016/j.jpha.2021.11.004


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