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

Rizwana Dilshad; Kashif-Ur-Rehman Khan; Saeed Ahmad; Asif Ansari Shaik Mohammad; Asmaa E Sherif; Huma Rao; Maqsood Ahmad; Bilal Ahmad Ghalloo; M Yasmin Begum

doi:10.3389/fchem.2023.1273191

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

Front Chem. 2023 Nov 8:11:1273191. doi: 10.3389/fchem.2023.1273191. eCollection 2023.

Authors

Rizwana Dilshad¹, Kashif-Ur-Rehman Khan¹, Saeed Ahmad¹, Asif Ansari Shaik Mohammad², Asmaa E Sherif^{3

4}, Huma Rao¹, Maqsood Ahmad¹, Bilal Ahmad Ghalloo¹, M Yasmin Begum⁵

Affiliations

¹ Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur, Pakistan.
² Department of Clinical Pharmacy, College of Pharmacy, King Khalid University, Abha, Saudi Arabia.
³ Department of Pharmacognosy, College of Pharmacy, Prince Sattam bin Abdul Aziz, Al-Khar, Saudi Arabia.
⁴ Department of Pharmacognosy, Faculty of Pharmacy, Mansoura University, Mansoura, Egypt.
⁵ Department of Pharmaceutics, College of Pharmacy, King Khalid University, Abha, Saudi Arabia.

Abstract

Typha domingensis, 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 T. domingensis by evaluating the phytochemical profile through high-performance liquid chromatography (HPLC) techniques and its biological activities (in vitro and in vivo) 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 (p-coumaric acid, 207.47; gallic acid, 96.25; and kaempferol, 95.78 μg/g extract). The enzyme inhibition assays revealed the IC₅₀ of TDME as 44.75 ± 0.51, 52.71 ± 0.01, and 67.19 ± 0.68 µgmL^-1, 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 in vitro hemolysis (4.25% ± 0.16% compared to triton × 100, 93.51% ± 0.36%), which was further confirmed (up to 10 g/kg) by an in vivo model of rats. TDME demonstrated significant (p < 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, in silico 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 in silico 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 T. domingensis could be extended to explore its potential applications in nutraceutical industries and encourage the isolation of novel molecules with anti-inflammatory and analgesic effects.

Keywords: T. domingensis extract; in silico docking and ADMET predictions; in vitro biological activities; in vivo anti-inflammatory and analgesic; phenolic quantification by HPLC; phytochemical profiling by UHPLC–MS.

Grants and funding

The author(s) declare financial support was received for the research, authorship, and/or publication of this article. The authors extend their appreciation to the Deanship of Scientific Research at King Khalid University for funding this work through the Small group Research Project under grant number RGP1/196/44.