Molecular Docking Studies and Anti−Snake Venom Metalloproteinase Activity of Thai Mango Seed Kernel Extract

Snakebite envenomations cause severe local tissue necrosis and the venom metalloproteinases are thought to be the key toxins involved. In this study, the ethanolic extract from seed kernels of Thai mango (Mangifera indica L. cv. ‘Fahlun’) (Anacardiaceae) and its major phenolic principle (pentagalloylglucopyranose) exhibited potent and dose−dependent inhibitory effects on the caseinolytic and fibrinogenolytic activities of Malayan pit viper and Thai cobra venoms in in vitro tests. molecular docking studies revealed that the binding orientations of the phenolic principles were in the binding pockets of snake venom metalloproteinases (SVMPs). The phenolic principles could form hydrogen bonds with the three histidine residues in the conserved zinc−binding motif and could chelate the Zn2+ atom of the SVMPs, which could potentially result in inhibition of the venom enzymatic activities and thereby inhibit tissue necrosis

Optimization of Magnetic and Paper-Based Molecularly Imprinted Polymers for Selective Extraction of Charantin in <i>Momordica charantia</i>

Charantin is a mixture of β-sitosterol and stigmastadienol glucosides, which effectively lowers high blood glucose. Novel molecularly imprinted polymers coated magnetic nanoparticles (Fe3O4@MIPs) and filter paper (paper@MIPs) were synthesized by sol-gel polymerization to selectively extract charantin. β-sitosterol glucoside was selected as a template for imprinting a specific recognition owing to its larger molecular surface area than that of 5,25-stigmastadienol glucoside. Factorial designs were used to examine the effects of the types of porogenic solvents and cross-linkers on the extraction efficiency and imprinting factor before investigating other factors (for example, amounts of template and coated MIPs, and types of substrates for MIP immobilization). Compared to traditional liquid–liquid extraction, the optimal Fe3O4@MIP-based dispersive micro-solid phase extraction and paper@MIP extraction provided excellent extraction efficiency (87.5 ± 2.1% and 85.0 ± 2.9%, respectively) and selectivity. Charantin was well separated, and a new unidentified sterol glucoside was observed using the developed high-performance liquid chromatography with diode-array detection (Rs ≥ 2.0, n > 16,400). The developed methods were successfully utilized to extract and quantify charantin from M. charantia fruit powder and herbal products. Moreover, these methods are rapid (<10 min), inexpensive, simple, reproducible, and environmentally friendly

Molecular Docking Studies and Anti-enzymatic Activities of Thai Mango Seed Kernel Extract Against Snake Venoms

The ethanolic extract from seed kernels of Thai mango (MSKE) (Mangifera indica L. cv. ‘Fahlun’) (Anacardiaceae) and its major phenolic principle (pentagalloyl glucopyranose) exhibited dose-dependent inhibitory effects on enzymatic activities of phospholipase A2 (PLA2), hyaluronidase and L-amino acid oxidase (LAAO) of Calloselasma rhodostoma (CR) and Naja naja kaouthia (NK)venoms by in vitro tests. The anti-hemorrhagic and anti-dermonecrotic activities of MSKE against both venoms were clearly supported by in vivo tests. Molecular docking studies indicated that the phenolic molecules of the MSKE could selectively bind to the active sites or their proximity, or modify conserved residues that are critical for the catalysis of PLA2, and selectively bind to the LAAO binding pocket of both CR and NK venoms and thereby inhibit their enzymatic activities. The results imply a potential use of MSKE against snake venoms

Molecular docking studies and anti-snake venom metalloproteinase activity of Thai mango seed kernel extract

molecule

Bone cement formulations tested in this project by mixing the poly(methyl methacrylate/methacrylate) powder with different amounts of chitosan or chitosan oligosaccharide.

Bone cement formulations tested in this project by mixing the poly(methyl methacrylate/methacrylate) powder with different amounts of chitosan or chitosan oligosaccharide.</p

Weight of bone cements obtained after casting bone cement mixtures before and after drug elusion.

Control represents bone cement specimens made solely from Copal® G+V. Ch 1%, Ch 5%, and Ch 10% are specimens made of Copal® G+V mixed with 1%, 5% and 10% w/w chitosan, respectively. ChO 1%, ChO 5%, and ChO 10% are specimens made of Copal® G+V mixed with 1%, 5% and 10% w/w chitosan oligosaccharides, respectively. Data are expressed as mean ± SEM (n = 6). Two-way ANOVA with Dunnett’s multiple comparisons test was performed.</p

Fig 1 -

Freshly prepare (A-G) and drug eluted (H-N) bone cements images obtained from a stereomicroscope with 6.7x magnification. Bone cement made solely from Copal® G+V (Control, A and H); Copal® G+V mixed with 1% (Ch 1%: B and I), 5% (Ch 5%: C and J), and 10% (Ch 10%: D and K) w/w chitosan; Copal® G+V mixed with 1% (ChO 1%: E and L), 5% (ChO 5%: F and M), and 10% (ChO 10%: G and N) w/w chitosan oligosaccharides. Scale bar represents 2 mm.</p

Fig 6 -

Zone of inhibition (ZOI) of S. aureus (A) and MRSA (B) of the supernatant obtained from different bone cement specimens that incubated in PBS for 7 days. Control represents bone cement specimens made solely from Copal® G+V. Ch 1%, Ch 5%, and Ch 10% are specimens made of Copal® G+V mixed with 1%, 5% and 10% w/w chitosan, respectively. ChO 1%, ChO 5%, and ChO 10% are specimens made of Copal® G+V mixed with 1%, 5% and 10% w/w chitosan oligosaccharides, respectively. Data are expressed as mean ± SEM (n = 6). One-way ANOVA with Dunnett’s multiple comparisons test was performed.</p

Representative photos of an agar disk diffusion method.

Zone of inhibition (ZOI) of S. aureus was measured. Control represents supernatant obtained from bone cement specimens made solely from Copal® G+V (A, D). Ch 10% are supernatant obtained from specimens made of Copal® G+V mixed with 10% w/w chitosan (B, E). ChO 10% are supernatant obtained from specimens made of Copal® G+V mixed with 10% w/w chitosan oligosaccharides (C, F). (TIF)</p