Table 1.
List of phytochemicals screened based on in silico ADMET, drug-likeness and published pharmaceutical data.
Compounds | Sources | Medicinal properties | miLogP | TPSA | Ref. |
---|---|---|---|---|---|
Corosolic acid | Lagerstroemia speciosa | Supress proliferation of cancer cells | 5.87 | 77.75 | [32] |
Glycyrrhizic acid | Licorice | Treats liver diseases, Anti HIV-1, SARS-CoV |
1.97 | 267.04 | [33,34] |
Maslinic acid | Olives | Anti-oxidant, anti-inflammatory, weak inhibition to cytochrome P450 | 5.81 | 77.75 | [35] |
2-Hydroxyseneganolide | Fruits of khaya senegalensis | Anti-fungal activity especially against botrytis cinerea | 1.47 | 132.51 | [36] |
Oleanane | Woody angiosperms | Anti-oxidant, anti-inflammatory, hepatoprotective, cardioprotective, antipruritic, spasmolytic, anti-allergic, anti-microbial, anti-viral and anti-cancer especially against breast cancer | 8.86 | 0 | [37] |
7-Deacetyl-7-benzoylgedunin | Neem (Azadirachta indica) | Activity against HL60 leukemia cells | 6.07 | 95.35 | [38] |
Epoxyazadiradione | Neem (Azadirachta indica) | Plasmodium falciparum plasmepsin I inhibitor | 3.66 | 86.11 | [39] |
Limonin | Citrus fruits | Inhibit the HIV-1 replication in cellular systems | 2.53 | 104.58 | [40] |
7-Deacetylgedunin | Neem (Azadirachta indica) | Anti-malarial, anti-inflammatory | 3.64 | 89.27 | [41] |
Oleanolic acid | Ocimum Sanctum (Basil) | Therapeutic potential for neurodegenerative diseases | 6.72 | 57.53 | [42] |
Ursolic acid | Ocimum Sanctum (Basil) | Therapeutic potential for neurodegenerative diseases | 6.79 | 57.53 | [43] |
Limonin glucoside | Citrus fruits | Inhibit colon adenocarcinoma cell proliferation through apoptosis | −0.29 | 214.96 | [44] |
Azadiradionolide | Neem (Azadirachta indica) | Apoptosis inducing activity | 2.85 | 86.75 | [45] |
Gedunin | Neem (Azadirachta indica) | Anti-plasmodial | 4.34 | 95.35 | [46] |
Obacunone | Citrus fruits | Represses solmonella pathogenicity and also inhibits human colon cancer | 3.8 | 95.35 | [47] |