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Objective:To study the mechanism of Artemisiain the treatment of respiratory tract infection (RTI) by network pharmacology and molecular docking. Methods:The active constituents and targets of Artemisiawere screened by the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Gene Cards database to obtain disease targets associated with RTI. The key targets of intersection were used to construct the protein–protein interaction (PPI) network, and the hub gene was obtained through topological analysis to construct the pharmacology regulation network of traditional Chinese medicine. The key targets were analyzed by R language enrichment, and the regulatory network diagram of the key target function/pathway was constructed. Molecular docking verifies the binding of the drug to the target predicted by network pharmacology. Results:144 active components of Artemisiaregulated 133 target proteins related to RTI, the core components were β-sitosterol, quercetin, isorhamnetin, artemisinin, etc. Gene ontology enrichment analysis showed that Artemisiaregulates receptor ligand activity, cytokine activity, and other molecular functions by acting on membrane region, membrane raft and other cellular structures in the treatment of RTI, thus affecting biological processes such as the response to drugs and bacteria-derived molecules. Kyoto Encyclopedia of Genes and Genomes enrichment analysis indicated that phosphatidylinositol 3-kinase (PI3K)-protein kinase B (Akt), tumor necrosis factor, interleukin-17 (IL-17) signaling pathway was the main pathway for RTI treatment. The molecular docking method confirmed the high affinity between the active ingredient and the RTI target. Conclusions:Artemisiaspecies, a multitarget medication, has been shown to be a viable therapy option for RTI by network pharmacology techniques based on data mining and molecular docking approaches.

The aerial parts of the tarragon (Artemisia dracunculus) were collected around Kukteppa village, Ziddi, Varzob region of Tajikistan. The essential oil of tarragon was obtained by hydrodistillation and analyzed by gas chromatography-mass spectrometry. Forty-five compounds representing 99.8% of total oil were identified. Sabinene (29.1%), estragole (24.6%), limonene (7.8%), (Z)-artemidin (4.9%), myrcene (4.8%), and (E)-β-ocimene (4.0%) were components with a representation higher than 4% of the essential oils of aerial parts of tarragon. Hierarchical cluster analysis of А. dracunculusessential oils on the global phytogeographic origin based on 30 essential oil components and 105 samples (globally) of this species, indicated the existence of its 7 major chemotypes: ocimene, α-terpinene, capillene, methyl eugenol, mixed chemotype, (Z)-artemidin, and estragol chemotypes. The essential oils of А. dracunculusshowed weak antioxidant and antibacterial activities. To our best knowledge, this is the first report concerning the chemical composition, chemotypic variation, antioxidant, and antimicrobial activities of the essential oils obtained from the aerial parts of А. dracunculus, growing wild in the Varzob region of Tajikistan.

The aerial parts of Аrtemisia annuaL. were collected from Varzob, Rudaki, and Hisor regions of Tajikistan. The essential oil was obtained by hydrodistillation and analyzed by gas chromatography–mass spectrometry. The essential oils of aerial parts of А. annuawere dominated by the monoterpenoids like camphor (32.5%-58.9%), 1,8-cineole (13.7%-17.8%), camphene (4.5%-8.4%), and α-pinene (1.9%-7.3%). Hierarchical cluster analysis of A. annuaessential oils indicated the existence of 3 A. annuachemotypes: camphor/1,8-cineole, camphor, and artemisia ketone. The essential oils of А. annuashow weak antioxidant activity and average antibacterial activity. In our opinion, the antibacterial activity of А. annuaessential oils is related to the presence of 1,8-cineole. To our best knowledge, this is the first report concerning the chemical composition, chemotypic variation, antioxidant, and antimicrobial activities of the essential oils obtained from the aerial parts of А. annua, growing wild in Tajikistan.

Three samples of Ferula kuhistanicawere collected from two different locations in the central part of Tajikistan. The essential oils were obtained by hydrodistillation and analyzed by GC-FID and GC-MS. A total of 77 compounds were identified representing 95.8-99.9 % of total oil compositions. The essential oils of the roots of F. kuhistanicawere dominated by the monoterpene hydrocarbons α-pinene (57.7-70.6%), β-pinene (8.2-27.1%), β-phellandrene (0.1-7.2%), and myrcene (1.5-2%). To our best knowledge, this is the first report concerning the chemical composition of the essential oil obtained from the roots of F. kuhistanica.

Helichrysum thianschanicumRegel was collected from Khorugh town of Kuhistoni Badakhshon Autonomous Province of Tajikistan. The essential oil was obtained by hydrodistillation and analyzed by gas chromatography – mass spectrometry. A total of 67 compounds were identified representing 88.4% of the total essential oil composition. The major components of H. thianschanicumessential oil were (E)-1-(6,10-dimethylundec-5-en-2-yl)-4-methylbenzene (pentylcurcumene) (21.6%), β-selinene (6.4%), δ-selinene (3.8%), (2E, 6E)-farnesol (3.3%), nerol (4.1%) and neryl decanoate (4.2%). To our best knowledge, no previous studies have been reported on the chemical composition of the essential oil of H. thianschanicum.

The chemical composition of the essential oils obtained from aerial parts of Nepeta alatavicaLipsky, N. nudaL., and N. olgaeRegel (Lamiaceae), growing wild in Central Asia (Tajikistan and Uzbekistan), were analyzed by GLC and GLC-MS. The main constituents of the essential oil from N. nudawere 1,8-cineole (24.6%), 4a-α,7-β,7a-α-nepetalactone (21.0%), germacrene D (13.5%), and β-caryophyllene (12.7%), whereas those of N. alatavicawere thymol (48.5%), verbenone (7.7%), and carvacrol (7.5%). In the essential oil of N. olgaethe most abundant compounds were acetylcyclohexene (31.5%), 4-tridecyne (13.2%), 2-methyl cyclopentanone (6.8%) and 1,8-cineole (6.0%). The potential antioxidant activity of these essential oils was studied by using DPPH, ABTS and FRAP assays. The essential oil of N. alatavicashowed the highest in vitrofree radical scavenging activity, probably due to its high thymol and carvacrol content.

The essential oil from the leaves of Tagetes minutaL., growing wild in Yemen, was obtained by hydrodistillation and analyzed by gas chromatography-mass spectrometry. A total of 28 compounds were identified representing 74.2% of total oil composition. Major components of the essential oil were (Z)-ocimenone (15.9%), (E)-ocimenone (34.8%), (Z)-β-ocimene (8.3%), limonene (2.3%), (Z)-tagetone (1.8%), dihydrotagetone (1.4%) and an unidentified dimethylvinylketone derivative (20.6%). The oil showed moderate cytotoxic activity against MCF-7 breast tumor cells, with an IC50of 54.7 ± 6.2 μg/mL. In the DPPH radical scavenging assay, T. minutaoil showed potent antiradical activity with an IC50value of 36 μg/mL. Antimicrobial activity was also investigated on several microorganisms, and the essential oil exhibited high activity against methicillin-resistant Staphylococcus aureus(MRSA) with an inhibition zone of 23 mm. It also exhibited remarkable antifungal activity against Candida albicanswith an inhibition zone of 26 mm.

The chemical composition of the essential oil obtained from the leaves of Pulicaria undulataGamal Ed Din (syn P. orientalsensu Schwartz and P. jaubertiiGamal Ed Din) was analyzed by GC-MS. Major compounds of P. undulataoil were the oxygenated monoterpenenes, carvotanacetone (91.4%) and 2,5-dimethoxy-p-cymene (2.6.%). The antimicrobial activity of the essential oil was evaluated against six microorganisms, Escherichia coli Pseudomonas aeruginosa, Staphylococcus aureus, methicillin-resistant S. aureus, Bacillus subtilis, and Candida albicans, using disc diffusion and broth microdilution methods. The oil showed the strongest bactericidal activity against Staphylococcus aureusand methicillin-resistant S. aureus, as well as Candida albicans. The essential oil showed moderate cytotoxic activity against MCF-7 breast tumor cells, with an IC50of 64.6 ±13.7 μg/mL. Bioautographic assays were used to evaluate the acetylcholinesterase inhibitory effect as well as antifungal activity of the oil against Cladosporium cucumerinum.

Origanum tyttanthumGontsch. was collected from two different sites in south-central Tajikistan. The essential oils were obtained by hydrodistillation and analyzed by gas chromatography – mass spectrometry. A total of 52 compounds were identified representing 99.0-100% of total oil compositions. The major components of Origanum tyttanthumGontsch. oil were carvacrol (34.3-59.2%), thymol (10.8-46.4%), p-cymene (0.7-7.3%), β-thujone (1.9-4.1%), piperitenone oxide (0.1-3.8%), γ-terpinene (0.3-3.5%), cis-piperitone epoxide (0.8-3.3%), carvacrol acetate (0.4-2.4%), menthone (0.6-2.1%) and borneol (1.0-2.3%).

The chemical composition of the essential oils of Ziziphora clinopodioidesLam. from the aerial flowering parts, collected during two different years, were obtained by hydrodistillation and analyzed by gas chromatography – mass spectrometry. Forty-five components representing 100% and 94.7% of the total oil were identified. The main constituents of the essential oils were pulegone (72.8 and 35.0%), neomenthol (6.5 and 23.1%), menthone (6.2 and 13.3%), p-menth-3-en-8-ol (1.7 and 3.5%), piperitenone (2.6 and 1.1%) and piperitone (0.7 and 1.2%). A cluster analysis was carried out on the essential oil compositions of Z. clinopodioides.

The essential oil from the aerial parts of Artemisia scopariawas obtained by hydrodistillation and analyzed by gas chromatography – mass spectrometry. A total of 32 compounds were identified representing 98.0% of the total oil composition. A. scopariaoil was dominated by the diacetylenes 1-phenyl-2,4-pentadiyne (34.2%) and capillene (4.9%). Other major components were β-pinene (21.3%), methyl eugenol (5.5%), α-pinene (5.4%), myrcene (5.2%), limonene (5.0%), and (E)-β-ocimene (3.8%). The oil was tested for in-vitrocytotoxic activity against MCF-7 cells, but was inactive.