AUTHOR=Dilshad Rizwana , Khan Kashif-ur-Rehman , Ahmad Saeed , Shaik Mohammad Asif Ansari , Sherif Asmaa E. , Rao Huma , Ahmad Maqsood , Ghalloo Bilal Ahmad , Begum M. Yasmin 

TITLE=Phytochemical characterization of Typha domingensis and the assessment of therapeutic potential using in vitro and in vivo biological activities and in silico studies

JOURNAL=Frontiers in Chemistry

VOLUME=Volume 11 - 2023

YEAR=2023

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2023.1273191

DOI=10.3389/fchem.2023.1273191

ISSN=2296-2646

ABSTRACT=<p><italic>Typha domingensis</italic>, a medicinal plant with significant traditional importance for curing various human diseases, has potentially bioactive compounds but was less explored previously. Therefore, this study aims to investigate the therapeutic potential of <italic>T. domingensis</italic> by evaluating the phytochemical profile through high-performance liquid chromatography (HPLC) techniques and its biological activities (<italic>in vitro</italic> and <italic>in vivo</italic>) from the methanolic extract derived from the entire plant (TDME). The secondary metabolite profile of TDME regulated by reverse phase ultra-high-performance liquid chromatography–mass spectrometry (RP-UHPLC–MS) revealed some bioactive compounds by -ve and +ve modes of ionization. The HPLC quantification study showed the precise quantity of polyphenols (<italic>p</italic>-coumaric acid, 207.47; gallic acid, 96.25; and kaempferol, 95.78 μg/g extract). The enzyme inhibition assays revealed the IC<sub>50</sub> of TDME as 44.75 ± 0.51, 52.71 ± 0.01, and 67.19 ± 0.68 µgmL<sup>-1</sup>, which were significant compared to their respective standards (indomethacin, 18.03 ± 0.12; quercetin, 4.11 ± 0.01; and thiourea, 8.97 ± 0.11) for lipoxygenase, α-glucosidase, and urease, respectively. Safety was assessed by <italic>in vitro</italic> hemolysis (4.25% ± 0.16% compared to triton × 100, 93.51% ± 0.36%), which was further confirmed (up to 10 g/kg) by an <italic>in vivo</italic> model of rats. TDME demonstrated significant (<italic>p</italic> &lt; 0.05) potential in analgesic activity by hot plate and tail immersion tests and anti-inflammatory activity by the carrageenan-induced hind paw edema model. Pain latency decreased significantly, and the anti-inflammatory effect increased in a dose-dependent way. Additionally, <italic>in silico</italic> molecular docking revealed that 1,3,4,5-tetracaffeoylquinic acid and formononetin 7-O-glucoside-6″-O-malonate possibly contribute to enzyme inhibitory activities due to their higher binding affinities compared to standard inhibitors. An <italic>in silico</italic> absorption, distribution, metabolism, excretion, and toxicological study also predicted the pharmacokinetics and safety of the chosen compounds identified from TDME. To sum up, it was shown that TDME contains bioactive chemicals and has strong biological activities. The current investigations on <italic>T. domingensis</italic> could be extended to explore its potential applications in nutraceutical industries and encourage the isolation of novel molecules with anti-inflammatory and analgesic effects.</p>