GC–MS and molecular docking analyses of phytochemicals from the underutilized plant, Parkia timoriana revealed candidate anti-cancerous and anti-inflammatory agents

Abstract

Plants are excellent sources of functionally bioactive compounds and essential nutrients. The phytochemical constituents have enormous potential in treating both plant and human diseases. Parkia timoriana (Yongchak/Zawngtah), one of the most important underutilized plants popularly consumed in Manipur and Mizoram states of Northeastern region of India, is known for its ethnobotanical and ethnomedicinal values. A significant DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2’-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid)), and Phosphomolybdate scavenging activity corresponding to high antioxidant potentials was shown by the extracts from different edible parts of P. timoriana. P. timoriana extract showed significant antibacterial potential against Bacillus pumilus, Bacillus subtillis, Escherichia coli and Pseudomonas aeruginosa. Fourier transform infrared spectroscopy and gas chromatography-mass spectrometry (GC–MS) analyses of the extracts revealed the functional groups and bioactive compounds present in different edible parts of the plant. Characteristic peaks of phenols, carboxylic acids, alkenes, glycogen, alkyl halides, halogen, aliphatic amines, primary and secondary amines, esters, ether, aromatics, lipids, triglycerides, nitro compounds that had antimicrobial, anti-cancer and anti-inflammatory properties etc. were observed. The GC–MS analysis also revealed the occurrence of 49 bioactive compounds that are known to possess a variety of pharmacological activities. Subsequently, in silico molecular docking studies of the identified bioactive compounds predicted potential anticancer and anti-inflammatory properties. To the best of our knowledge, this is the first-hand report on the bioactive compounds of edible parts of P. timoriana extracts showing antioxidant, antimicrobial and pharmacological significance. This study can lead to the production of new herbal medicines for various diseases employing P. timoriana and perhaps leading to the creation of new medications.

Metabolite Bioactive Contents of Parkia timoriana (DC) Merr Seed Extracts in Different Solvent Polarities

“…Coumarin and anthocyanins were completely absent from the extract. This result is not different significantly from the previous studies by at methanol extract of P. timoriana seeds only presence alkaloids, flavonoids, tannins, saponin, terpenoids (Ralte et al 2022). Reducing sugar presence only in the distilled water extract.…”

“…It has antioxidant activity through the inhibition of free radicals DPPH and ABTS. Furthermore, it has antibacterial activity against Bacillus pumilus, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa (Ralte et al 2022). This work studies metabolite bioactive contents of P. timoriana seeds in different solvent polarities and evaluate their antioxidant, -glucosidase, and -amylase inhibition, antidiabetic and antimicrobial activities.…”

Effect of Hydrothermal Cooking and Germination Treatment on Functional and Physicochemical Properties of Parkia timoriana Bean Flours: An Underexplored Legume Species of Parkia Genera

“…Parkia, belonging to the family Leguminosae, comprises 30 or more species, of which only a few are traditionally utilized and widely recognized. Nitta bean (Parkia timoriana) is a well-known underutilized nutritious leguminous tree found on the Asian continent [4]. It is a valuable tree that ranges from 40 to 820 m a.s.l.…”

In-vitro and in-silico antibacterial activity of Azadirachta indica (Neem), methanolic extract, and identification of Beta.d-Mannofuranoside as a promising antibacterial agent

“…Plants are now one of the most important sources for finding a new bioactive molecule to treat human diseases caused by pathogenic bacteria [ 1 , 7 – 9 ] since more than 80% of people worldwide depend on herbal medicine for their basic healthcare requirements [ 29 ]. Neem trees have received worldwide attention as holy trees with remarkable therapeutic benefits such as immunomodulatory, anticancer, antibacterial, and hepatoprotective properties [ 30 ].…”

“…Although plants contain a very large number of bioactive compounds, few have been discovered [ 1 ]. The development of extraction methods and the use of molecular spectroscopic techniques such as GC–MS and fourier-transform infrared (FTIR) has led to the discovery and characterization of new plant bioactive compounds [ 1 , 7 – 9 ]. Recently, in silico tools have emerged as promising, time and cost-saving approaches for drug discovery [ 10 ].…”