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Hyperoside

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Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD030
Compound Name Hyperoside
Phytochemical category Flavanoid
PubChem Id 5281643
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Formula C21H20O12
Canonical SMILES Notation C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Binomial Name Azadirachta indica
Vernacular Names Vepilai/Vepaku/Margosa/Neem
Plant Part Leaf
Family Meliaceae
Description Influenza viruses and SARS-CoV-2.
Mechanism of action It could antagonize N protein-induced S-phase arrest by interfering with interaction between N protein and p53 and inhibit viral replication.
Molecular weight 464.38 g/mol
XLOGP3 0.36
Num. H-bond acceptors 12
Num. H-bond donors 8
Rotatable bonds 4
Topological polar surface area 210.51 Ų
Bioavailability Score 0.17
Druglikeness No
Lipinski 2 violations
References Su M, Shi D, Xing X, Qi S, Yang D, Zhang J, Han Y, Zhu Q, Sun H, Wang X, Wu H. Coronavirus PEDV nucleocapsid protein interacts with p53 to induce cell cycle arrest in S-phase and promotes viral replication. Journal of Virology. 2021 May 26:JVI-00187. Halder P, Pal U, Paladhi P, Dutta S, Paul P, Pal S, Das D, Ganguly A, Ray A, Ghosh S. Evaluation of potency of the selected bioactive molecules from Indian medicinal plants with MPro of SARS-CoV-2 through in silico analysis. Journal of Ayurveda and integrative medicine. 2021 May 21.

Hypericin

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Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD029
Compound Name Hypericin
Phytochemical category Anthraquinone
PubChem Id 3663
IUPAC Name9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione
Molecular Formula C30H16O8
Canonical SMILES Notation CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O
Binomial Name Hypericum perforatum
Vernacular Names Vettai pakku/Basant/St. John's wort
Plant Part Flower
Family Hypericaceae?
Description Infectious bronchitis virus, Murine cytomegalovirus, Sindbis virus, Human immunodeficiency virus type 1, and SARS-CoV-2.
Mechanism of action It prevents the replication of encapsulated viruses probably due to inhibition of the assembly and shedding of virus particles in infected cells.
Molecular weight 504.44 g/mol
XLOGP3 5.71
Num. H-bond acceptors 8
Num. H-bond donors 6
Rotatable bonds 0
Topological polar surface area 155.52 Ų
Bioavailability Score 0.17
Druglikeness No
Lipinski 2 violations
References Hudson JB, Lopez-Bazzocchi I, Towers GH. Antiviral activities of hypericin. Antiviral research. 1991 Feb 1;15(2):101-12. Antiviral Activity Against Infectious Bronchitis Virus and Bioactive Components of Hypericum perforatum L.

Glycyrrhizic Acid

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Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD028
Compound Name Glycyrrhizic Acid
Phytochemical category Triterpenoid
PubChem Id 14982
IUPAC Name(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Formula C42H62O16
Canonical SMILES Notation CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C
Binomial Name Glycyrrhiza glabra
Vernacular Names Licorice/Adhimadhuram
Plant Part Rhizome
Family Fabaceae
Description SARS, Influenza, Respiratory syndrome, Varicella, hepatitis B, Herpes simplex 1, and HIV.
Mechanism of action It inhibits viral replication and immune regulation.
Molecular weight 822.93 g/mol
XLOGP3 2.8
Num. H-bond acceptors 16
Num. H-bond donors 8
Rotatable bonds 7
Topological polar surface area 267.04 Ų
Bioavailability Score 0.11
Druglikeness No
Lipinski 3 violations
References Fiore C, Eisenhut M, Krausse R, Ragazzi E, Pellati D, Armanini D, Bielenberg J. Antiviral effects of Glycyrrhiza species. Phytother Res. 2008;22:141?148. Sun ZG, Zhao TT, Lu N, Yang YA, Zhu HL. Research progress of glycyrrhizic acid on antiviral activity. Mini reviews in medicinal chemistry. 2019 Jun 1;19(10):826-32.

Gingerenone A 

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Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD027
Compound Name Gingerenone A
Phytochemical category Diarylheptanoid
PubChem Id 5281775
IUPAC Name(E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
Molecular Formula C21H24O5
Canonical SMILES Notation COC1=C(C=CC(=C1)CCC=CC(=O)CCC2=CC(=C(C=C2)O)OC)O
Binomial Name Zingiber officinale
Vernacular Names Inji/Allam/Adhrak/Ginger
Plant Part Rhizome
Family Zingiberaceae
Description Influenza viruses like H1N1, HN1, HN2
Mechanism of action It restricts IAV replication by inhibiting JAK2 activity
Molecular weight 356.41 g/mol
XLOGP3 3.74
Num. H-bond acceptors 5
Num. H-bond donors 2
Rotatable bonds 9
Topological polar surface area 75.99 Ų
Bioavailability Score 0.55
Druglikeness Yes
Lipinski 0 violation
References Wang J, Prinz RA, Liu X, Xu X. In vitro and in vivo antiviral activity of gingerenone A on influenza A virus is mediated by targeting janus kinase 2. Viruses. 2020 Oct;12(10):1141. Vincent S, Arokiyaraj S, Saravanan M, Dhanraj M. Molecular docking studies on the anti-viral effects of compounds from Kabasura Kudineer on SARS-CoV-2 3CLpro. Frontiers in molecular biosciences. 2020 Dec 23;7:434.

Gingerol

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written by impac.co.in

Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD026
Compound Name Gingerol
Phytochemical category Beta-hydroxy ketone
PubChem Id 442793
IUPAC Name(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Molecular Formula C17H26O4
Canonical SMILES Notation CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
Binomial Name Zingiber officinale
Vernacular Names Inji/Allam/Adhrak/Ginger
Plant Part Rhizome
Family Zingiberaceae
Description Chikungunya virus, Human respiratory syncytial virus, and SARS-CoV-2.
Mechanism of action It inhibits the viral infection through suppression of viral replication.
Molecular weight 294.39 g/mol
XLOGP3 2.76
Num. H-bond acceptors 4
Num. H-bond donors 2
Rotatable bonds 10
Topological polar surface area 66.76 Ų
Bioavailability Score 0.55
Druglikeness Yes
Lipinski 0 violation
References Hayati RF, Better CD, Denis D, Komarudin AG, Bowolaksono A, Yohan B, Sasmono RT. [6]-Gingerol Inhibits Chikungunya Virus Infection by Suppressing Viral Replication. BioMed Research International. 2021 Mar 27;2021. San Chang J, Wang KC, Yeh CF, Shieh DE, Chiang LC. Fresh ginger (Zingiber officinale) has anti-viral activity against human respiratory syncytial virus in human respiratory tract cell lines. Journal of ethnopharmacology. 2013 Jan 9;145(1):146-51.

Germacrone

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written by impac.co.in

Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD025
Compound Name Germacrone
Phytochemical category Monocyclic sesquiterpenoid
PubChem Id 6436348
IUPAC Name(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one
Molecular Formula C15H22O
Canonical SMILES Notation CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
Binomial Name Curcuma zedoaria
Vernacular Names White turmeric/Kichili kizhangu/Kachoram/Amb halad
Plant Part Rhizome
Family Zingiberaceae
Description Pseudorabies virus, Porcine parvovirus, and Influenza virus
Mechanism of action It inhibts by inhibit PRV replication by affecting cell antiviral mechanism.
Molecular weight 218.33 g/mol
XLOGP3 3.46
Num. H-bond acceptors 1
Num. H-bond donors 0
Rotatable bonds 0
Topological polar surface area 17.07 Ų
Bioavailability Score 0.55
Druglikeness Yes
Lipinski 0 violation
References He W, Zhai X, Su J, Ye R, Zheng Y, Su S. Antiviral activity of germacrone against pseudorabies virus in vitro. Pathogens. 2019 Dec;8(4):258. Chen Y, Dong Y, Jiao Y, Hou L, Shi Y, Gu T, Zhou P, Shi Z, Xu L, Wang C. In vitro antiviral activity of germacrone against porcine parvovirus. Archives of virology. 2015 Jun 1;160(6):1415-20.

Geraniin

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written by impac.co.in

Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD024
Compound Name Geraniin
Phytochemical category Flavanoid
PubChem Id 3001497
IUPAC Name[(1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-28-yl] 3,4,5-trihydroxybenzoate
Molecular Formula C41H28O27
Canonical SMILES Notation C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Binomial Name Phyllanthus emblica
Vernacular Names Nellikai/Anwala/Amla
Plant Part Fruit
Family Phyllanthaceae
Description Enterovirus 71, Human immunodeficiency virus type 1, and SARS-CoV-2.
Mechanism of action It inhibts the viral replication by blocking the interacting tendancies of integrase, reverse transcriptase, and protease.
Molecular weight 952.64 g/mol
XLOGP3 -0.59
Num. H-bond acceptors 27
Num. H-bond donors 14
Rotatable bonds 3
Topological polar surface area 450.25 Ų
Bioavailability Score 0.17
Druglikeness No
Lipinski 3 violations
References Yang Y, Zhang L, Fan X, Qin C, Liu J. Antiviral effect of geraniin on human enterovirus 71 in vitro and in vivo. Bioorganic & medicinal chemistry letters. 2012 Mar 15;22(6):2209-11. Notka F, Meier G, Wagner R. Concerted inhibitory activities of Phyllanthus amarus on HIV replication in vitro and ex vivo. Antiviral research. 2004 Nov 1;64(2):93-102.

Gallic acid

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written by impac.co.in

Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD023
Compound Name Gallic acid
Phytochemical category Phenol
PubChem Id 370
IUPAC Name3,4,5-trihydroxybenzoic acid
Molecular Formula C7H6O5
Canonical SMILES Notation C1=C(C=C(C(=C1O)O)O)C(=O)O
Binomial Name Terminalia chebula
Vernacular Names Kadukkai/Karakkaya/Harad/Myrobalan
Plant Part Fruit
Family Combretaceae
Description Herpes simplex type 1, Influenza virus, Parainfluenza type-3, and SARS-CoV-2.
Mechanism of action It inhibits the viral replication by targeting proteases.
Molecular weight 170.12 g/mol
XLOGP3 0.7
Num. H-bond acceptors 5
Num. H-bond donors 4
Rotatable bonds 1
Topological polar surface area 97.99 Ų
Bioavailability Score 0.56
Druglikeness Yes
Lipinski 0 violation
References El-Toumy SA, Salib JY, El-Kashak WA, Marty C, Bedoux G, Bourgougnon N. Antiviral effect of polyphenol rich plant extracts on herpes simplex virus type 1. Food Science and Human Wellness. 2018 Mar 1;7(1):91-101. ?z?elik B, Kartal M, Orhan I. Cytotoxicity, antiviral and antimicrobial activities of alkaloids, flavonoids, and phenolic acids. Pharmaceutical biology. 2011 Apr 1;49(4):396-402.

Ferulic acid

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written by impac.co.in

Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD022
Compound Name Ferulic acid
Phytochemical category Polyphenol
PubChem Id 445858
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Molecular Formula C10H10O4
Canonical SMILES Notation COC1=C(C=CC(=C1)C=CC(=O)O)O
Binomial Name Elephantopus scaber
Vernacular Names Anashovadi/Samdudri/Enugabira/Elephant foot
Plant Part Leaf
Family Asteraceae
Description Influenza A virus, Vesicular stomatitis virus, Herpes simplex virus, Coxsackie virus, Deline calicivirus, Murine norovirus-1, and Enterovirus -71.
Mechanism of action It inhibits the growth by interrupting the replication process.
Molecular weight 194.18 g/mol
XLOGP3 1.51
Num. H-bond acceptors 4
Num. H-bond donors 2
Rotatable bonds 3
Topological polar surface area 66.76 Ų
Bioavailability Score 0.85
Druglikeness Yes
Lipinski 0 violation
References Takeda Y, Okuyama Y, Nakano H, Yaoita Y, Machida K, Ogawa H, Imai K. Antiviral activities of Hibiscus sabdariffa L. tea extract against human influenza A virus rely largely on acidic pH but partially on a low-pH-independent mechanism. Food and environmental virology. 2020 Mar;12(1):9-19. Weeratunga P, Uddin MB, Kim MS, Lee BH, Kim TH, Yoon JE, Ma JY, Kim H, Lee JS. Interferon-mediated antiviral activities of Angelica tenuissima Nakai and its active components (Retraction of Vol 54, Pg 57, 2016).

Fisetin

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Indian Plant Antiviral Compound Database (IMPAC)

Indian Plant Antiviral Compound Description
InAVPCDB Accession Number AVD021
Compound Name Fisetin
Phytochemical category Flavanoid
PubChem Id 5281614
IUPAC Name2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
Molecular Formula C15H10O6
Canonical SMILES Notation C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
Binomial Name Azadirachta indica
Vernacular Names Vepilai/Vepaku/Margosa/Neem
Plant Part Leaf
Family Meliaceae
Description Hematopoietic necrosis virus, Viral hemorrhagic septicemia virus, Feline calicivirus, Murine norovirus, Herpes virus type I,Dengue virus, Chikungunya, and SARS-CoV-2.
Mechanism of action It inhibits the viral replication by binding to the viral RNA, thus impeding polymerase activity; inhibits the non structural activities.
Molecular weight 286.24 g/mol
XLOGP3 1.97
Num. H-bond acceptors 6
Num. H-bond donors 4
Rotatable bonds 1
Topological polar surface area 111.13 Ų
Bioavailability Score 0.55
Druglikeness Yes
Lipinski 0 violation
References Lyu SY, Rhim JY, Park WB. Antiherpetic activities of flavonoids against herpes simplex virus type 1 (HSV-1) and type 2 (HSV-2) in vitro. Archives of pharmacal research. 2005 Nov;28(11):1293-301. Kang SY, Kang JY, Oh MJ. Antiviral activities of flavonoids isolated from the bark of Rhus verniciflua stokes against fish pathogenic viruses In Vitro. The journal of Microbiology. 2012 Apr;50(2):293-300. Lalani S, Poh CL. Flavonoids as antiviral agents for Enterovirus A71 (EV-A71). Viruses. 2020 Feb;12(2):184.
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