Preprint / Version 1

Chemical Profiling, in-vitro biological evaluation and molecular docking studies of Ruellia tweediana: An unexplored plant

Authors

  • Shamsa Kanwal aDepartment of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan
  • Saeed Ahmad aDepartment of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan
  • M Begum cDepartment of Pharmaceutics, College of Pharmacy, King Khalid University Abha 61421, Saudi Arabia
  • Ayesha Siddiqua dDepartment of Clinical Pharmacy, College of Pharmacy, King Khalid University, Abha, 61421, Saudi Arabia
  • Huma Rao aDepartment of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan
  • Bilal Ghalloo eDepartment of Medicinal Chemistry, College of Pharmacy, University of Minnesota, Minneapolis 55454, United States of America
  • Muhammad Shahzad aDepartment of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan
  • Imtiaz Ahmad aDepartment of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan
  • Kashif-ur-Rehman Khan aDepartment of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan

Keywords:

Ruellia tweediana, Phytochemicals, Antioxidant activity, Antidiabetic, Antibacterial, Enzyme inhibition, Anti-inflammatory, Molecular Docking

Abstract

Many Ruellia species have been utilized in traditional medicine and despite the prevalent use of Ruellia tweediana in folk medicine, its antioxidant potential and polyphenol content have not been investigated. Therefore, the present study aimed to explore the medicinal value of R. tweediana by evaluating its total phenolic (TPC) and flavonoid contents (TFC), GC–MS analysis, antioxidant, antibacterial, and enzyme inhibition activities. The TPC and TFC of the extract/fractions were assessed using the Folin-Ciocalteu and aluminum trichloride methods, respectively. To determine the antioxidant capacity, five different assays were used: DPPH, ABTS, CUPRAC, FRAP, and metal chelating assays. The inhibition activity against α-glucosidase, α-amylase, cholinesterases, and lipoxygenase enzymes was also analyzed. Furthermore, GC–MS was performed for chemical screening of non-polar fraction. The methanol extract showed the maximum TPC (167.34 ± 2.23 mg GAE/g) and TFC (120.43 ± 1.71 mg RE/g) values among all the tested samples. GC–MS screening of the n-hexane fraction showed the presence of 40 different phytoconstituents. The results demonstrated the highest scavenging potential of the methanol extract against DPPH (167.79 ± 2.75 mg TE/g) and ABTS (255.32 ± 2.91 mg TE/g) radicals, as well as the metal-reducing capacity measured by CUPRAC (321.34 ± 3.09 mg TE/g), FRAP (311.32 ± 2.91 mg TE/g), and metal chelating assay (246.78 ± 10.34 mg EDTAE/g). Notably, the n-hexane fraction revealed the highest α-glucosidase and α-amylase inhibition activity (186.8 ± 2.84 and 179.7 ± 4.32 mg ACAE/g, respectively) while methanol extract showed highest acetylcholinesterase and butyrylcholinesterase inhibition activity (198.6 ± 3.31 and 184.3 ± 2.92 mg GALE/g, respectively). The GC–MS identified Lupeol showed best binding affinity with all docked enzymes as compared to standard compounds. The presence of bioactive phytoconstituents showed by GC–MS underscores the medicinal importance of R. tweediana, making it a promising candidate for natural medicine. Keywords: Ruellia tweediana, Phytochemicals, Antioxidant activity, Antidiabetic, Antibacterial, Enzyme inhibition, Anti-inflammatory, Molecular Docking

Author Biographies

Shamsa Kanwal, aDepartment of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan

bDepartment of Chemistry and Physics, College of Sciences and Mathematics, Arkansas State University, Jonesboro, AR 72404, United States of America

Imtiaz Ahmad, aDepartment of Pharmaceutical Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan

fPrimary & Secondary Health Department, Punjab 54000, Pakistan

Downloads