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. 2020 Jul 28;124:103936. doi: 10.1016/j.compbiomed.2020.103936

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]