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• Chemical profiling of Omani Thymus vulgaris species was done by GC-MS analysis. • The GC-MS analysis of thyme essential oil established it to be a carvacrol chemotype. • Thyme essential oil exhibited better antimicrobial spectrum than ampicillin. • Thyme essential oil showed significant in vitro free radical scavenging activity in DPPH assay method. • In silico PASS prediction studies revealed carvacrol to possess useful bioactivities including cytotoxicity. Thyme is an evergreen shrub that has been utilized in traditional medicine and culinary packages for centuries because of its aroma and medicinal properties. The medicinal properties of thyme leaves are attributed to its volatile constituents. The study aimed to identify the volatile constituents in the oil extracted from the Thyme sp grown in Oman and to evaluate its in vitro antibacterial and antioxidant activity. Fresh Thyme leaves were collected from Muscat, Sultanate of Oman in the month of September 2018. Thyme oil was isolated from leaves by hydro-distillation. The volatile chemical constituents present in the thyme oil were analyzed by Gas Chromatograph coupled with Mass Spectrometer. The ability of isolated oil to scavenge free radicals was evaluated by an in vitro DPPH assay method while antimicrobial activity was tested against S. aureus and E. coli bacterial strains by disc diffusion method. The bioactivity of the major constituent of the oil was predicted with the help of PASS and CLC-pred software. Molecular docking studies were performed by docking server. GC–MS analysis of thyme oil revealed the presence of 11 components. Carvacrol and γ-terpinene were identified as the major volatile constituents in thyme oil. Thyme oil inhibited 71.57% of DPPH radicals at 40 µg/mL concentration. Thyme oil displayed the better antimicrobial activity than the standard drug ampicillin against both the bacteria. Antiseptic, antiinfective, reductant and antimutagenic bioactivities of carvacrol as predicted by PASS support the in vitro experimental results. CLC-pred showed carvacrol to be active against Metastatic melanoma, Oligodendroglioma and Non small cell lung cancer cell lines. The antioxidant and antimicrobial activity of Omani thyme oil could be due to its high content of carvacrol. Omani thyme oil seems to be a viable alternative source of natural antimicrobial agent(s) and warrants further studies to ascertain its therapeutic spectrum of biological studies. [ABSTRACT FROM AUTHOR]

A small library of twenty-four quinoline based butenolides also known as furanones and their nitrogen analogues was prepared by using two different aroylpropionic acids, viz. 3-(2-naphthoyl)propionic acid ( 3 ) and 3-(biphenyl-4-yl)propionic acid ( 4 ), as starting materials. The 3-aroylpropionic acids were reacted with different 6-substituted-2-chloroquinolin-3-carbaldehydes ( 2a–d ) to obtain the corresponding furan-2(3 H )-ones ( 5a–h ). The purified and characterized furanones were then converted into their corresponding 2(3 H )-pyrrolones ( 6a–h ) and N -benzyl-pyrrol-2(3 H )-ones ( 7a–h ). The antimicrobial activities of the title compounds were evaluated against two strains of each Gram +ve ( Staphylococcus aureus and Bacillus subtilis ), Gram −ve bacteria ( Escherichia coli and Pseudomonas aeruginosa ) and against fungal strains of Aspergillus niger and Aspergillus flavus . In vivo anti-inflammatory potential of the title compounds was investigated by standard method. Majority of the compounds showed significant antibacterial activity against both the Gram +ve strains. Eight most potent anti-inflammatory compounds ( 5b, 5d, 5h, 6b, 7b, 7d, 7f, 7h) which exhibited >53% inhibition in edema, were also screened for their in vivo analgesic activity. All the tested compounds were found to have significant reduction in ulcerogenic action but only three compounds ( 5d, 5h and 7h ) showed comparable analgesic activity to standard drug, diclofenac. The results were also validated using in silico approach and maximum mol doc score was obtained for compounds 7a–h . On comparing the in vivo and in silico anti-inflammatory results of synthesized compounds, N -benzyl pyrrolones ( 7a–h ) emerged as the potent anti-inflammatory agents. It was also observed that compounds that possess electron withdrawing group such as Cl or NO 2 are more biologically active. [ABSTRACT FROM AUTHOR]