Borreria hispida comprises an effective potential source of natural antioxidant, which might be helpful in preventing the progress of various oxidative stresses. This study aimed to gain information by molecular docking of biologically active compounds of Borreria hispida with Glutathione reductase (GR), Urate oxidase(UO), Protein-tyrosine kinase 2-β (PTK-2β) and Peroxiredoxin-5(PRDX5) proteins target that are responsible for antioxidant activity and also correlate the relation by previous literature in vitro antioxidant analysis. Molecular docking analysis of the compounds was done by Schrodinger. Furthermore ADME properties of the isolated compounds were evaluated with QikProp. A mixed range of docking score was found during molecular docking by Schrodinger where the in vitro study showed moderate antioxidant activity. They also satisfy the Lipinski rule to sow the drug-like properties. Due to its superior docking score, it could be an effective GR, UO, PTK-2β and PRDX5 inhibitors. Furthermore studies are required to detect GR, UO, PTK-2β and PRDX5 inhibitory activity of isolated compounds from Borreria hispida

Aqil F, Ahmad I. Broad-spectrum antibacterial and antifungal properties of certain traditionally used Indian medicinal plants. World journal of microbiology and biotechnology. 2003;19(6):653-7. [CrossRef]

Badgujar V, Jain P, Pal S, Patil R. Antimicrobial activity of stem bark of Helicteres isora. Indian Journal of Natural Products. 2006;22(2):34-5. [Google Scholar]

Rao BK, Giri R, Kesavulu M, Apparao C. Effect of oral administration of bark extracts of Pterocarpus santalinus L. on blood glucose level in experimental animals. Journal of Ethnopharmacology. 2001;74(1):69-74. [CrossRef]

Dabelstein W, Reglitzky A, Schütze A, Reders K, Brunner A. Automotive fuels. Ullmann's Encyclopedia of Industrial Chemistry. 2000:1-41. [CrossRef]

Shajiselvin C, Muthu AK. In-vitro antioxidant studies of various extracts of whole plant of Borreria hispida (Linn). Research Journal of Pharmaceutical Biological and Chemical Sciences. 2010;1(2):14-20. [CrossRef]

Kumar G, Sandhya C, Kumar R. Evaluation of anti-inflammatory and analgesic activities of borreria hispida linn. root extracts in experimental models. International journal of pharmaceutical research and development. 2014;5(11). [CrossRef]

Tareq A, Farhad S, Taiyat M, Chowdhury S, Jawad Sayem S, Hossain S. Experimental analysis of selected isolated compounds of Borreria species against Inflammation using Computational Chemistry. Bangladesh Society for Biochemistry & Molecular Biology (BSBMB) Conference 2019; University of Chittagong, BangladeshApril 2019. p. 44. [CrossRef]

Filimonov D, Lagunin A, Gloriozova T, Rudik A, Druzhilovskii D, Pogodin P, et al. Prediction of the biological activity spectra of organic compounds using the PASS online web resource. Chemistry of Heterocyclic Compounds. 2014;50(3):444-57. [CrossRef]

Conserva LM, Ferreira JC, Jr. Borreria and Spermacoce species (Rubiaceae): A review of their ethnomedicinal properties, chemical constituents, and biological activities. Pharmacognosy reviews. 2012;6(11):46-55. [CrossRef] [Pubmed]

Han S, Mistry A, Chang JS, Cunningham D, Griffor M, Bonnette PC, et al. Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J Biol Chem. 2009;284(19):13193-201. [CrossRef]

Karplus PA, Schulz GE. Refined structure of glutathione reductase at 1.54 A resolution. J Mol Biol. 1987;195(3):701-29. [CrossRef]

Declercq JP, Evrard C, Clippe A, Stricht DV, Bernard A, Knoops B. Crystal structure of human peroxiredoxin 5, a novel type of mammalian peroxiredoxin at 1.5 A resolution. J Mol Biol. 2001;311(4):751-9. [CrossRef]

Retailleau P, Colloc'h N, Vivares D, Bonnete F, Castro B, El-Hajji M, et al. Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode. Acta Crystallogr D Biol Crystallogr. 2004;60(Pt 3):453-62. [CrossRef]

Tanenbaum DM, Wang Y, Williams SP, Sigler PB. Crystallographic comparison of the estrogen and progesterone receptor's ligand binding domains. Proc Natl Acad Sci U S A. 1998;95(11):5998-6003. [CrossRef]

Friesner RA, Banks JL, Murphy RB, Halgren TA, Klicic JJ, Mainz DT, et al. Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy. Journal of Medicinal Chemistry. 2004;47(7):1739-49. [CrossRef]

Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced drug delivery reviews. 1997;23(1-3):3-25. [CrossRef]

Natarajan A, Sugumar S, Bitragunta S, Balasubramanyan N. Molecular docking studies of (4Z, 12Z)-cyclopentadeca-4, 12-dienone from Grewia hirsuta with some targets related to type 2 diabetes. BMC Complementary and Alternative Medicine. 2015;15(1):73. [CrossRef]