Investigation of biological activities ofColocasia giganteaHook.f. leaves and PASS prediction, in silico molecular docking with ADME/T analysis of its isolated bioactive compounds

Abstract

BackgroundColocasia gigantea is locally named as kochu and also better known due to its various healing power. This research is to investigate the antidiarrheal, antimicrobial, and antioxidant possibilities of the methanol soluble extract of Colocasia gigantea.MethodsAntidiarrheal investigation was performed by using in vivo castor oil induced diarrheal method where as in vitro antimicrobial and antioxidant investigation have been implemented by disc diffusion and DPPH scavenging method respectively. Moreover, in silico studies were followed by molecular docking analysis of several secondary metabolites were appraised with Schrödinger-Maestro v 11.1.ResultsThe induction of plant extract (200 and 400 mg/kg, b.w, p.o), the castor oil mediated diarrhea has been minimized 19.05 % (p < 0.05) and 42.86 % (p < 0.001) respectively. The methanolic extract of C. gigantea showed mild sensitivity against almost all the tested strains but it shows high consistency of phenolic content and furthermore yielded 67.68 μg/mL of IC50 value in the DPPH test. The higher and lower binding affinity was shown in beta-amyrin and monoglyceryl stearic acid against the kappa-opioid receptor (PDB ID: 4DJH) with a docking score of -3.28 kcal/mol and -6.64 kcal/mol respectively. In the antimicrobial investigation, Penduletin and Beta-Amyrin showed the highest and lowest binding affinity against the selected receptors with the docking score of -8.27 kcal/mol and -1.66 kcal/mol respectively.ConclusionThe results of our scientific research reflect that the methanol soluble extract of C. gigantea is safe which may provide possibilities of alleviation of diarrhea and as a potential wellspring of antioxidants which can be considered as an alternate source for exploration of new medicinal products.

Computer-aided Approaches to Support the Ethnopharmacological Importance of Dillenia pentagyna Roxb.: An In silico Study

“…Besides, bioactive secondary metabolites found from D. pentagyna can also exert anti-thrombotic action which support the thrombolytic potentials of this plant (Choi et al, 2015;Gong et al, 2020). Plants are always blessed with several kinds of phytochemicals which may attribute to their pharmacological actions (Alam et al, 2020a, Alam andHaque, 2020). Phytochemicals isolated from D. pentagyna attributed to wide ranges of bioactive secondary metabolites including flavonoids (kaempferol, quercetin, rhamnetin-3-glucoside, isorhamnatin, and naringenin-7 galactosyl (1-4) glucoside), terpinoids Corresponding author: Mohammad Rashedul Haque; Email: haquemr@du.ac.bd DOI: https://doi.org/10.3329/bpj.v24i2.54711 (betulin, mallic acid, lupeol, betunaldehyde, βsitosterol, stigmasterol, and betulinic acid) (Gandhi et al, 2013).…”