Table 1.

Medicinal plants used for molecular docking with their uses in various ailments.

S. No.	Phytocompounds	Botanical Names (Family)	Common/Local Name	Ailments
1.	(Z)-Ligustilide	Angelica glauca Edgew. (Apiaceae)	Chora	Stimulant, appetizer, arthritis, carminative, diaphoretic, diuretic, constipation, debility, joint problems, bronchitis, dysentery, menorrhea, stomach disorders, vomiting [17,18].
	Angelicide
2.	P-coumaric acid	Heracleum lanatum Michx (Apiaceae)	Patrala	Fever, abdominal cramps, leukoderma, aphrodisiac, digestive, mildly expectorant and sedative, nausea, tumor [19].
	Scopoletin
3.	Palmatine	Berberis aristata DC. (Berberidaceae)	Kashmal	Acidity, eye infection, microbes, fever, hepatotoxic, hyperglycemic, lipidemic, cancer, oxidative stress diarrhea, hemorrhoids, osteoporosis, HIV-AIDS, diabetes, jaundice, wound healing [20].
	Rutin
4.	Podophyllotoxin	Sinopodophyllum hexandrum (Royle) T.S. Ying (Berberidaceae)	Bankakdi	Cancer, snakebite, jaundice, stomachache, intestinal purgative, vomiting, necrotic wounds, tumor, arthritis [21,22].
	Quercetin
5.	Astragalin	Chenopodium album L. (Amaranthaceae)	Baathu	Parasitic worms, inflammation, fever, arthritis, constipation, toothache, bug bites, sunstroke, tooth decay [21].
	Kaempferol
6.	Apigenin	Sedum glaucophyllum R.T. Clausen (Crassulaceae)	Mochu-gha, ludru	Burn, cut, abscesses, blisters [23].
	Luteolin
7.	Phytol	Solena amplexicaulis (Lam.) Gandhi (Cucurbitaceae)	Kakdi	Cancer, oxidative stress, inflammation, tumor, antimicrobial, diuretic, fever, jaundice [24].
	Carane
8.	Hydroxytyrosol	Malva neglecta Wall (Malvaceae)	Sonchal	Constipation, women sterility, wound healing, hemorrhoids, asthma, diarrhea, rheumatic pain, stomachache, abdominal pain, renal diseases, throat infection, common cold, stomachache, antimicrobial, oxidative stress, inflammation, stress, liver damage, ulcer, cancer, bronchitis, kidney stone [25,26].
	Hexatriacontane
9.	Cyanidin	Ficus carica L. (Moraceae)	Common fig	Oxidative stress, Cancer, colic, indigestion, loss of appetite, diarrhea, sore throats, coughs, bronchial problems, heart disease, liver problem, lowering of blood sugar, cholesterol-lowering, inflammation, Antimicrobial, relieve spasm of involuntary muscle, fever, TB, platelet aggregation inhibitor, mutagen [27,28].
	Psoralen
10.	Militarine	Dactylorhiza hatagirea (D.Don) Soo (Orchidaceae)	Panja, Salampanja	Wound healing, inflammation, bleeding, fever, cancer, diabetes, neurological function, burns, and bronchitis [29,30].
	Resveratrol
11.	Gallic acid	Rheum australe D.Don (Polygonaceae)	Chuchi, Chukari	Diabetes, inflammation, oxidative stress, cancer, gastric disorder, cuts & wounds, fractured bones, liver damage, immune-enhancing, lower blood glucose, smallpox, muscle sprain [31,32].
	Rhein
12.	Nepodin	Rumex hastatus D.Don (Polygonaceae)	Almoru	Jaundice, hepatitis, Blood purification, Scurvy, Diuretic, cooling, astringent, constipation, oxidative stress, snakebites, foot and mouth infections, asthma, cough, headache, diarrhea, dysentery, fever, weakness, and scabies [33].
	Rumexoside
13.	Kutkoside	Picrorrhizakurooa Royle (Plantaginaceae)	Karu	Liver damage, oxidative stress, cancer, asthma, stimulate immune system, neuritogenic, neuron degeneration, jaundice, allergy, piles, leukoderma, snake bite, liver disease, fever, parasitic worms, improving heart muscle contraction, high blood pressure, diabetes, cold, cough, stomach ache [34].
	Picroside III
14.	Aloesin	Rumex nepalensis Meisn (Polygonaceae)	Nepal dock	Purgative, oxidative stress, fever, inflammation, tumor, diabetic, mental disorder, Wound healing, analgesic and CNS depressant, skeletal muscle relaxant [35].
	Orcinol glucoside
15.	Catechin	Rubus ellipticus Sm. (Rosaceae)	Akhe, Yellow Himalayan raspberry	Dysentery, oxidative stress, diabetes, tumor, Nephroprotective, sore throats, cold, colic, constipation, gastritis, dysentery, diarrhea [36].
	Caffeic acid
16.	Rubiadin	Rubia cordifolia L. (Rubiaceae)	Mishtu	Immune-related diseases inflammation, urinary infections, bone ache, skin diseases, vertigo, insomnia, rheumatism, tuberculosis, hematemesis, menstrual disorders, contusions [37].
	Mollugin
17.	Verbascoside	Verbascum thapsus L. (Scrophulariaceae)	Janglitamaku	Pain, muscle spasm, bleeding, nerve tonic, wounds, allergy, cancer, oxidative stress, blood pressure, anxiety, inflammation, sepsis, diuretic, cough, skin diseases, cuts, wounds and swelling, diarrhea [38,39].
	Aucubin
18.	Solasonine	Solanum americanum Mill. (Solanaceae)	Bara lianchu	Healing, dental caries, bladder spasm, joint pains, cooling, cough, gastric ulcer, protozoal infections, diabetes, inflammation [40,41].
	Solamargine
19.	Pennogenin	Trilliumgovanianum Wall. Ex D. Don (Melanthiaceae)	Nag Chhatri	Dysentery, wounds, inflammation, antiseptic, boils, menstrual and sexual disorders, pain, inflammation, Leishmanial infection, cancer, wound [42,43].
	2,4-Decadienal
20.	Protocatechuic acid	Valeriana jatamansi Jones (Caprifoliaceae)	Nihani	Cuts, wounds, skin disorders, analgesic, anxiety disorder, tranquilizing hypnotic, irritable bowel syndrome, epilepsy, snake poisoning, hyperlipidemia, depressive insomnia, rotavirus enteritis [44,45].
	Valtrate
21.	Methyl salicylate	Viola canescens Wall. (Violaceae)	Banksha	Cough, cold, fever, jaundice, malaria, protozoa infection, cancer, flatulence, inflammation or irritation, bleeding abrations, fever, respiratory problems, sepsis, fever [46,47].
	Emetine
22.	β-sitosterol	Girardinia diversifolia (Link) Friis (Urticaceae)	Zaran	Cytotoxic, Snake bite, Muscles sprain, constipation, headaches, fever, ringworm, gastric troubles, eczema, chest and joint pain, rheumatism, tuberculosis, headache, joint aches, diabetes, asthma, stomach inflammation, gonorrhea, delivery problems, bone fracture, internal injury, blood purification [48,49,50].
	Scopoletin
23.	Atropine	Datura stramonium L. (Solanaceae)	Dhatura	Asthma, inflammation, pain and spasm in irritable bowel, gout, madness, epilepsy, depression, burns, rheumatism Parkinson’s disease, piles, pain [51].
	Scopolamine
24.	Eugenol	Ocimum sanctum L. (Labiatae)	Tulsi	Bronchial asthma, fever, cold, cough, malaria, dysentery, convulsions, diarrhea, arthritis, skin diseases, insect bites, gastric, liver and heart disorder, diabetes stomachache, headache, inflammation, tuberculosis, stress, poisoning, leukoderma [52].
	Cirsilineol
25.	Charantin	Momordica charantia L. (Cucurbitaceae)	Bitter Gourd	Cholesterol, HIV, gout, jaundice, abdominal pain, kidney (stone), rheumatism, fever, scabies, ulcer, inflammation, leukemia, diabetes, tumor, diabetes [53,54].
	Momordicine
26.	Gingerol	Zingiber officinale Roscoe (Zingiberaceae)	Ginger	Inflammation, nausea, analgesic, fever, dysentery, heartburn, flatulence, diarrhea, diabetes, carminative, stimulant to GIT, relieve spasm of involuntary muscle, digestion, vasodilation, cough, asthma, pain, flatulence, constipation [55].
	Lariciresinol
27.	Withanone	Withania somnifera (L.) Dunal (Solanaceae)	Ashwagandha	Abortion, clear or open the natural ducts of the fluids and secretions, pain, promoting calm and sleep, miscarriage, post-partum difficulties, inflammation, tumor, stress, oxidative stress, mind-booster, rejuvenation [56].
	Withaferin A
28.	Geraniin	Phyllanthus emblica L. (Phyllanthaceae)	Indian gooseberry	Tumor, pain, fever, stress, inflammation, oxidative stress, depression, liver damage, ulcer, radioprotective, diabetes, cancer, wound healing, cytotoxic [57,58].
	Phyllanthin
29.	Allicin	Allium sativum L. (Amaryllidaceae)	Garlic	Cold, influenza, dyspepsia, loss of appetite, snake bites, stress, inflammation, diabetes, aging effects, cancer, lung disorders, whooping cough, stomach disorders, cold, earache, cardiovascular disorder, Alzheimer’s disease [59].
	Pyrogallol
30.	Quercitrin	Bryophyllum pinnatum (Lam.) Oken (Crassulaceae)	Pattharcaṭṭa	Ulcer, inflammation, analgesic, jaundice, kidney stones, respiratory tract infections, boils, insect bites, hypertension, diabetes, cancer, HPV [60].
	Bryophyllin A
31.	Alpha-pinene	Pinus roxburghii Sarg. (Pinaceae)	Chir pine	Dyslipidemia, oxidative stress, wound healing, analgesic, inflammation, cytotoxic [61].
	Abietic acid
32.	Thymoquinone	Nigella sativa L. (Ranunculaceae)	Black cumin	Asthma, hypertension, diabetes, inflammation, cough, bronchitis, headache, eczema, fever, dizziness, influenza, carminative, stimulant, diuretic [62].
	Thymol
33.	Aloe-emodin	Aloe barbadensis Miller (Asphodelaceae)	(Aloe vera )	Burn injury, eczema, cosmetics, inflammation, fever, malaria [63].
	Emodin
34.	Koenimbine	Murraya koenigii (L.) Spreng. (Rutaceae)	Curry tree	Piles, inflammation, itching, fresh cuts, dysentery, bruises, and edema, helminth infection, analgesics, digestives, and appetizers, oxidative stress, inflammation, nephroprotective [64,65].
	Mahanimbine
35.	Asiaticoside	Centella asiatica (L.) Urb. (Apiaceae)	Brahma manduki	Ulcerous skin, weakness, burns, duodenal, stomach ulcers, lupus, antinociceptive, inflammation, scleroderma, leprosy vein disorder, neuroprotection, wound healing, eczema, dermatitis, psoriasis [66].
	Madecassoside