Total Bioactive Contents, Metabolic Profiling, Docking Studies, Antioxidant and Enzyme Inhibition Activities of Convolvulus Arvensis L. and Multivariate Analysis to Unravel a Potential Herb as Natural Resource for Pharmaceutical Industry.

Convolvulus arvensis L. is an evergreen herb growing in various regions of Pakistan. Despite of several medicinal properties associated to this herb, it was not investigated scientifically for its bioactive compounds and detailed pharmaceutical properties. Therefore, its methanolic extract was divided into hexane (CA-H), chloroform (CA-C), ethyl acetate (CA-E) and butanol (CA-B) soluble fractions. CA-H and CA-C were found rich in phenolics (30.73±0.63 and 20.15±0.59 mg GAE/g of the extract, respectively), and the same fractions exhibited significant antioxidant activities (DPPH: 5.23±0.11 & 12.34±0.17 mg TE/g extract, respectively; ABTS: 36.82±0.04 & 56.74±0.61 mg TE/g extract, respectively). Also in CUPRAC activity assay, CA-H and CA-C exhibited highest activities as 87.30±0.46 and 56.74±0.61 mg TE/g extract, respectively, while CA-C was most active in FRAP activity assay with value of 40.21±2.19 mg TE/g extract. Total antioxidant capacity (1.23±0.033 mmol TE/g extract) was also found higher for CA-C, while CA-H activity was also comparable, however, CA-H showed higher metal chelating activity (22.74±0.001 mg EDTAE/g extract) than that of CA-C (17.55±0.22 mg EDTAE/g extract). These activities clearly revealed a direct relation between antioxidant potential and phenolic contents of CA-H and CA-C. In AChE and BChE inhibitory assay, CA-H and CA-E showed better inhibition (AChE: 8.24±0.77 & 4.46±0.007 mg GALAE/g extract; BChE: 5.40±0.02 & 1.92±0.24 mg GALAE/g extract) as compared to other fractions, whereas, against tyrosinase, CA-B was most active (37.35±0.53 mg KAE/g extract). CA-H and CA-C also showed higher inhibitory potential (0.98±0.08 & 0.58±0.01 mmol ACAE/g extract) against α-Amylase; while against α-Glucosidase, CA-E was the most active fraction. UHPLC/MS analysis of the methanolic extract of C. arvensis disclosed the presence of 62 compounds as sterols, triterpenes, flavonoids, fatty acids, alkaloids and coumarins. In Multivariate Analysis, the total phenolic contents were correlated strongly with all antioxidant assays except FRAP and DPPH. Regarding enzyme inhibitory properties, only AChE, BChE and α-amylase were correlated with the total phenolic contents in the extracts. Docking analyses confirmed these findings, as identified compounds had high binding free energy and inhibition constants with the enzymes studied. It was finally concluded that C. arvensis is a potential industrial crop, which can be a component of nutraceuticals and functional foods, if evaluated for its toxicity.

Chemodiversity, Biological Activities and Molecular Docking Studies of Leptadenia pyrotechnica (Forssk.) Decne: A Comprehensive Approach to Validate Its Medicinal Use.

Leptadenia pyrotechnica (Forssk.) Decne is growing in Cholistan desert, and is known for its laxative, analgesic, anabolic and astringent, antioxidant, anti-inflammatory, antibacterial, antitumor, hypolipidemic and antiatherosclerotic properties. The present study disclosed the metabolic picture of L. pyrotechnica and validates its folk uses. LP-H fraction constitute 25.79±0.11 mgGAE/g extract and 20.64±0.33 mgRE/g extract of phenolic and flavonoid content, respectively, followed by LP-E (23.15±0.33 mgGAE/g extract and 19.40±0.13 mgRE/g extract), however, LP-E exhibited the highest free radical scavenging (DPPH: 21.05±0.45mgTE/g and ABTS: 68.12±0.53 mgTE/g) and metal reducing (FRAP: 44.93±1.66, CUPRAC: 117.42±1.28 mgTE/g, respectively) activities. The total antioxidant capacity in Phosphomolybdenum assay (1.52±0.14 mmolTE/g) and ferrous ion chelating (11.57±0.29 mgEDTAE/g) activities were observed highest for LP-H extract. In cholinesterase's inhibitory assays, the LP-E and LP-W extracts exhibited inhibitory values as 2.43 and 2.40±0.07 mgGALAE/g extract, respectively against AChE, while against BChE the LP-H displayed the highest value as 5.98±0.44 mgGALAE/g extract. The LP-H fraction also showed the highest inhibition potential (7.72±0.14 mmol ACAE/g and 0.55±0.01 mmol ACAE/g, respectively) against α-glucosidase and α-amylase enzymes, while, in tyrosinase inhibitory assay, all the fractions exhibited significant activities in the range of 59.35±0.29 to 55.18±0.49 mgKAE/g extract. RP-UHPLC/MS analysis of LP-M disclosed the presence of 57 metabolites of various classes. A multivariate analysis and molecular docking study was also carried out to establish relationships between the metabolites and the biological activities, which finally validate the use of L. pyrotechnica as herbal medicine or component nutraceutical, food and cosmetic industry.

Multidirectional insights into the phytochemical, biological, and multivariate analysis of the famine food plant (Calligonum polygonoides L).: A novel source of bioactive phytocompounds.

Calligonum polygonoides L. also known as famine food plant, is normally consumed in times of food scarcity in India and Pakistan and also used traditionally in the management of common diseases. The present design aims to provide an insight into the medicinal potential of four solvent extracts of C. polygonoides via an assessment of its phytochemical profile, antioxidant and enzyme inhibitory potential. Phytochemical composition was estimated by deducing total bioactive constituents, UHPLC-MS secondary metabolites profile, and HPLC phenolic quantification. Antioxidant potential was determined via six methods (radical scavenging (DPPH and ABTS), reducing power (FRAP and CUPRAC), phosphomolybdenum total antioxidant capacity and metal chelation activity). Enzyme inhibitory potential was assessed against clinical enzymes (acetylcholinesterase -AChE, butyrylcholinesterase -BChE, tyrosinase, and α-amylase). The highest amounts of phenolic contents were found in chloroform extract (76.59 mg GAE/g extract) which may be attributed to its higher radical scavenging, reducing power and tyrosinase inhibition potential. The n-butanol extract containing the maximum amount of flavonoids (55.84 mg RE/g extract) exhibited highest metal chelating capacity. Similarly, the n-hexane extract was found to be most active against AChE (4.65 mg GALAE/g extract), BChE (6.59 mg GALAE/g extract), and α-amylase (0.70 mmol ACAE/g extract) enzymes. Secondary metabolite assessment of the crude methanol extract as determined by UHPLC-MS analysis revealed the presence of 24 (negative ionization mode) and 15 (positive ionization mode) secondary metabolites, with most of them belonging to phenolic, flavonoids, terpene, and alkaloid groups. Moreover, gallic acid and naringenin were the main phenolics quantified by HPLC-PDA analysis in all the tested extracts (except n-butanol extract). PCA statistical analysis was also conducted to establish any possible relationship amongst bioactive contents and biological activities. Overall, the C. polygonoides extracts could be further considered to isolate bioactive enzyme inhibitory and antioxidant natural phytocompounds.