Indian Plant Antiviral Compound Database (IMPAC)
| Indian Plant Antiviral Compound | Description |
|---|---|
| InAVPCDB Accession Number | AVD001 |
| Compound Name | Ajoene |
| Phytochemical category | Organosulfur |
| PubChem Id | 5386591 |
| IUPAC Name | (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene |
| Molecular Formula | C9H14OS3 |
| Canonical SMILES Notation | C=CCSSC=CCS(=O)CC=C |
| Binomial Name | Allium sativum |
| Vernacular Names | Vellaipoondu/Lasan/Vellulli/Garlic |
| Plant Part | Shoot/ Bulb |
| Family | Alliaceae |
| Description | Human immunodeficiency virus (HIV)-1, Human rhinovirus parainfluenza, Herpes simplex,? and SARS-CoV-2. |
| Mechanism of action | It restrains the early events of viral replication and adsoprtion by inhibiting proteases and RdRp. |
| Molecular weight | 234.40 g/mol |
| XLOGP3 | 1.71 |
| Num. H-bond acceptors | 1 |
| Num. H-bond donors | 0 |
| Rotatable bonds | 8 |
| Topological polar surface area | 61.58 Ų |
| Bioavailability Score | 0.55 |
| Druglikeness | No |
| Lipinski | 0 violation |
| References | Walder RA, Kalvatchev Z, Garzaro D, Barrios M, Apitz-Castro R. In vitro suppression of HIV-1 replication by ajoene [(e)-(z)-4, 5, 9-trithiadodeca-1, 6, 11-triene-9 oxide]. Biomedicine & pharmacotherapy. 1997 Jan 1;51(9):397-403. Bastikar VA, Bastikar AV, Chhajed SS. Understanding the role of natural medicinal compounds such as curcumin and allicin against SARS-CoV-2 proteins as potential treatment against COVID-19: An in silico approach. Journal of Proteomics & Bioinformatics. 2020;13(7):1-4. |
