Phytochemical Profiling, In Vitro Biological Activities, and In Silico Molecular Docking Studies of Dracaena reflexa

Abstract

Dracaena reflexa, a traditionally significant medicinal plant, has not been extensively explored before for its phytochemical and biological potential. The present study was conducted to evaluate the bioactive phytochemicals and in vitro biological activities of D. reflexa, and perform in silico molecular docking validation of D. reflexa. The bioactive phytochemicals were assessed by preliminary phytochemical testing, total bioactive contents, and GC-MS analysis. For biological evaluation, the antioxidant (DPPH, ABTS, CUPRAC, and ABTS), antibacterial, thrombolytic, and enzyme inhibition (tyrosinase and cholinesterase enzymes) potential were determined. The highest level of total phenolic contents (92.72 ± 0.79 mg GAE/g extract) was found in the n-butanol fraction while the maximum total flavonoid content (110 ± 0.83 mg QE/g extract) was observed in methanolic extract. The results showed that n-butanol fraction exhibited very significant tyrosinase inhibition activity (73.46 ± 0.80) and acetylcholinesterase inhibition activity (64.06 ± 2.65%) as compared to other fractions and comparable to the standard compounds (kojic acid and galantamine). The methanolic extract was considered to have moderate butyrylcholinesterase inhibition activity (50.97 ± 063) as compared to the standard compound galantamine (53.671 ± 0.97%). The GC-MS analysis of the n-hexane fraction resulted in the tentative identification of 120 bioactive phytochemicals. Furthermore, the major compounds as identified by GC-MS were analyzed using in silico molecular docking studies to determine the binding affinity between the ligands and the enzymes (tyrosinase, acetylcholinesterase, and butyrylcholinesterase enzymes). The results of this study suggest that Dracaena reflexa has unquestionable pharmaceutical importance and it should be further explored for the isolation of secondary metabolites that can be employed for the treatment of different diseases.

Chemical Composition and Biological Evaluation of Typha domingensis Pers. to Ameliorate Health Pathologies: In Vitro and In Silico Approaches

“…Finally, the temperature was raised to 300°C for 10°C/min and held for 10 minutes. The identification was made using a standard scanning method ranging from 35 to 600 m/z (mostly bioactive compounds are low molecular mass compounds ranging from 35 to 600 m/z), and the bioactive compounds were tentatively identified by the NIST 2011 library [ 27 ].…”

Comprehensive Phytochemical Profiling, Biological Activities, and Molecular Docking Studies of Pleurospermum candollei: An Insight into Potential for Natural Products Development

“…The test tubes were incubated at 37 • C for a period of 90 minutes and weighed again after removing the fluid (to observe clot lysis). The difference in weight was calculated before and after clot lysis by the given formula and expressed as a percent of thrombolytic activity of fractions, and the experiment was performed in triplicates [133].…”

“…These structures of ligands were placed in the area of the active site of the enzyme with AutoDock vina. Outcomes of the interaction of enzyme-active site residues and ligand molecules were evaluated using the Discovery Studio Visualizer, and 2D interactions were presented in Figures 4-6 [133,135].…”

Efficacy of Phytochemicals Derived from Roots of Rondeletia odorata as Antioxidant, Antiulcer, Diuretic, Skin Brightening and Hemolytic Agents—A Comprehensive Biochemical and In Silico Study

“…The World Health Organization (WHO) validates that more than 80% of world's total population depends on different plant products to meet their basic healthcare needs [3]. Different therapeutic activities, for example, antioxidant, anticancer, insecticidal, antibacterial, antiviral, antiaging, antifungal, antimalarial and anti-inflammatory, etc., of plants depend upon the presence of a vast variety of secondary metabolites that are separated by different advanced, sensitive, and sophisticated techniques [4]. For this purpose, around 20,000 various plant species had been investigated for therapeutical purposes [5].…”

“…Browning and hyperpigmentation are two common undesirable phenomena for human skin and tyrosinase has been recognized as responsible for these two phenomena in mammals [17]. This led the scientists to identify, isolate, synthesize and characterize new potent tyrosinase inhibitors [4]. Very few inhibitors are in use for clinical purposes and as skin-whitening agents.…”