Isolation and characterization of lactic acid bacteria with potential probiotic activity and further investigation of their activity by α-amylase and α-glucosidase inhibitions of fermented batters

Frontiers in Microbiology, Journal Year: 2023, Volume and Issue: 13

Published: Jan. 23, 2023

Probiotic microbiota plays a vital role in gastrointestinal health and possesses other beneficial attributes such as antimicrobial antibiotic agents along with significant the management of diabetes. The present study identifies probiotic potential Lactobacillus spp. isolated from three traditionally fermented foods namely, jalebi, medhu vada, kallappam batters at biochemical, physiological, molecular levels. By 16S rRNA gene amplification sequencing, isolates were identified. A similarity >98% to Lacticaseibacillus rhamnosus RAMULAB13, Lactiplantibacillus plantarum RAMULAB14, pentosus RAMULAB15, paracasei RAMULAB16, casei RAMULAB17, RAMULAB20, RAMULAB21 was suggested when searched for homology using NCBI database. Utilizing cell-free supernatant (CS), intact cells (IC), extract (CE) isolates, inhibitory activity against carbohydrate hydrolyzing enzymes α-glucosidase α-amylase assessed. CS, CE, IC had varying capability inhibition (15.08 59.55%) (18.79 63.42%) enzymes. To assess seven various preliminary characteristics examined. All exhibited substantial tolerance toward conditions also demonstrated highest survival rate (> 99%), hydrophobicity 65%), aggregation 76%), adherence HT-29 84%), chicken crop epithelial suggesting that high attribute. Additionally, strains showed remarkable results safety assessment assays (DNase hemolytic), antibacterial evaluations. concludes lactic acid bacteria (LAB) characterized outstanding properties has antidiabetic effects. In order obtain advantages, LAB can be utilized supplements.

Language: Английский

---

Discovery of Novel Coumarin Derivatives as Potential Dual Inhibitors against α-Glucosidase and α-Amylase for the Management of Post-Prandial Hyperglycemia via Molecular Modelling Approaches

Molecules, Journal Year: 2022, Volume and Issue: 27(12), P. 3888 - 3888

Published: June 17, 2022

Coumarin derivatives are proven for their therapeutic uses in several human diseases and disorders such as inflammation, neurodegenerative disorders, cancer, fertility, microbial infections. coumarin-based scaffolds gained renewed attention treating diabetes mellitus. The current decade witnessed the inhibiting potential of coumarin against α-glucosidase α-amylase management postprandial hyperglycemia. Hyperglycemia is a condition where an excessive amount glucose circulates bloodstream. It occurs when body lacks enough insulin or unable to correctly utilize it. With open-source free silico tools, we have investigated novel 80 inhibitory identified derivative, CD-59, dual inhibitor. ligand-based 3D pharmacophore detection search utilized discover diverse coumarin-like compounds new chemical inhibition α-amylase. In this regard, four from ZINC database been discovered inhibitors (ZINC02789441 ZINC40949448 with scaffold thiophenyl chromene carboxamide, ZINC13496808 triazino indol thio phenylacetamide, ZINC09781623 chromenyl thiazole). To summarize, propose that ZINC02789441 will serve lead molecules activity α-amylase, thereby discovering drugs effective From reported scaffold, synthesis can also be performed, which used drug discovery.

Language: Английский

---

Computer-Aided Screening of Phytoconstituents from Ocimum tenuiflorum against Diabetes Mellitus Targeting DPP4 Inhibition: A Combination of Molecular Docking, Molecular Dynamics, and Pharmacokinetics Approaches

Molecules, Journal Year: 2022, Volume and Issue: 27(16), P. 5133 - 5133

Published: Aug. 12, 2022

Diabetes mellitus is a major global health concern in the current scenario which chiefly characterized by rise blood sugar levels or hyperglycemia. In context, DPP4 enzyme plays critical role glucose homeostasis. targets and inactivates incretin hormones such as glucagon-like peptide-1 (GLP-1) gastric inhibitory polypeptide (GIP) physiological substrates, are essential to regulate amount of insulin that secreted after eating. Since inactivation incretins occurs, hyperglycemic conditions continue rise, result adverse linked with diabetes mellitus. Hence, inhibition has been center focus present antidiabetic studies. Although few inhibitor drugs, alogliptin, saxagliptin, linagliptin, sitagliptin, available, their effects on human metabolism undeniable. Therefore, it becomes for phytochemical intervention disease using computational methods prior performing vitro vivo this regard, we used an in-silico approach involving molecular docking, dynamics simulations, binding free energy calculations investigate potential Ocimum tenuiflorum phytocompounds against DPP4. three (1S-α-pinene, β-pinene, dehydro-p-cymene) from O. have discovered inhibitors protein. To summarize, our experiment outcomes, propose dehydro-p-cymene lead protein, thereby discovering new phytocompound effective management hyperglycemia The reported compound can be taken analyses near future.

Language: Английский

---

Exploring of Chemical Profile and Biological Activities of Three Ocimum Species From Comoros Islands: A Combination of In Vitro and In Silico Insights

Cell Biochemistry and Function, Journal Year: 2024, Volume and Issue: 42(7)

Published: Oct. 1, 2024

ABSTRACT Ocimum species have a great interest in different traditional medicinal systems. This study examined the chemical composition, antioxidant properties, enzyme inhibitory effects, and antibacterial antifungal activities of aerial parts gratissimum , americanum basilicum from Comoros Islands. The extracts were analyzed using high‐performance liquid chromatography‐mass spectrometry (HPLC‐MS) to determine their composition. Antioxidant activity was assessed 2,2‐Diphenyl‐1‐picrylhydrazyl (DPPH), 2,2′‐Azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt (ABTS), cupric reducing capacity (CUPRAC), ferric power (FRAP), chelating ability, phosphomolybdenum radical scavenging assays. Enzyme against acetylcholinesterase (AChE), butrylcholinesterase (BChE), tyrosinase, amylase, glucosidase evaluated spectrophotometric methods. Antibacterial tested broth microdilution method selected pathogenic microorganisms. enzymes proteins silico methods with biomolecules these plants. In addition, 111 metabolites identified advanced HPLC/MS techniques. most significant number detected compounds derivatives hydroxycinnamic acids, followed by flavonoid glycosides aglycones hydroxybenzoic acids. All three exhibited activities, O. best‐reducing abilities CUPRAC FRAP assays revealed that had potent effect on tyrosinase (48.01 ± 3.89 mg kojic acid equivalent [KAE]/g), amylase (1.08 0.02 mmol acarbose [ACAE]/g). tests demonstrated possess broad‐spectrum activity. Molecular docking results showed remarkable binding energies target proteins. molecular dynamics simulations chicoric MurE Staphylococcus aureus complex as promising drug candidate. These findings support medical nutraceutical uses suggest possibilities for natural functional applications.

Language: Английский

---

Transplanting network pharmacology technology into food science research: A comprehensive review on uncovering food‐sourced functional factors and their health benefits

Comprehensive Reviews in Food Science and Food Safety, Journal Year: 2024, Volume and Issue: 23(5)

Published: Sept. 1, 2024

Abstract Network pharmacology is an emerging interdisciplinary research method. The application of network to reveal the nutritional effects and mechanisms active ingredients in food great significance promoting development functional food, facilitating personalized nutrition, exploring health effects. This article systematically reviews field science using a literature review progress discussed, factors on basis are explored. Additionally, limitations challenges future directions prospects proposed. serves as important tool action benefits food. It helps conduct in‐depth biological activities individual ingredients, composite foods, compounds assessment potential components. Moreover, it can help control enhance their functionality through relevant information during production processing samples guarantee safety. further analyzed summarized. Combining machine learning, artificial intelligence, clinical experiments, vitro validation, achievement transformation factor driven by for research.

Language: Английский

---

Integrated network pharmacology and molecular modeling approach for the discovery of novel potential MAPK3 inhibitors from whole green jackfruit flour targeting obesity-linked diabetes mellitus

PLoS ONE, Journal Year: 2023, Volume and Issue: 18(1), P. e0280847 - e0280847

Published: Jan. 30, 2023

The current study investigates the effectiveness of phytocompounds from whole green jackfruit flour methanol extract (JME) against obesity-linked diabetes mellitus using integrated network pharmacology and molecular modeling approach. Through pharmacology, druglikeness pharmacokinetics, docking simulations, GO analysis, dynamics binding free energy analyses, it aims to look into mechanism JME in amelioration mellitus. There are 15 predicted genes corresponding 11 oral bioactive compounds JME. most important these was MAPK3. According insulin signaling pathway has been have strongest affinity MAPK3 protein, which chosen as target. With regard simulation, greatest notable for discovered be caffeic acid (-8.0 kJ/mol), deoxysappanone B 7,3’-dimethyl ether acetate (DBDEA) (-8.2 syringic (-8.5 kJ/mol). All were found stable inside inhibitor pocket enzyme during simulation. During calculation, all chiefly used Van der Waal’s bind with target protein (caffeic acid: 102.296 kJ/mol, DBDEA: -104.268 -100.171 Based on findings, may inferred that reported could vitro vivo research, goal targeting inhibition treatment

Language: Английский

---

Multiprotein Inhibitory Effect of Dietary Polyphenol Rutin from Whole Green Jackfruit Flour Targeting Different Stages of Diabetes Mellitus: Defining a Bio-Computational Stratagem

Separations, Journal Year: 2022, Volume and Issue: 9(9), P. 262 - 262

Published: Sept. 19, 2022

The anti-diabetic potential of whole unripe jackfruit (peel with pulp, flake, and seed) was investigated using inhibitory assays for α-glucosidase, α-amylase, aldose reductase, glycation at multiple stages. Using activity-guided repeated fractionation on a silica gel column chromatography, dietary flavonoid rutin potent antihyperglycemic activity extracted from the methanol extract flour (MJ). Rutin found to inhibit both α-glucosidase (IC50: 7.86 µg/mL) α-amylase 22.00 in competitive manner inhibition low Ki values. In addition, vitro experiments revealed that prevented each stage protein as well production intermediate molecules. Furthermore, significantly inhibited reductase 2.75 non-competitive manner. During silico studies, molecular docking dynamics simulation studies have suggested has high binding affinity enzymes studied, which could explain its effects. interacted key residues target enzymes’ inhibitor sites. Compared controls used, had higher efficiency stability pocket enzymes. According our findings, presence is more likely be associated MJ via action polyol pathway glycation. bio-computational study indicates lead all used an effective drug near future.

Language: Английский

---

Pharmacoinformatics based screening discovers swertianolin from Lavandula angustifolia as a novel neuromodulator targeting epilepsy, depression, and anxiety

South African Journal of Botany, Journal Year: 2022, Volume and Issue: 149, P. 712 - 730

Published: July 8, 2022

In the present study, we evaluate pharmacological significance of phytoconstituents derived from Lavandula angustifolia with respect to anticonvulsant, antidepressant, and anxiolytic activities using in silico approach against human GABAAR-beta3 receptor, serotonin transporter, potassium channel KCSA-FAB, respectively. Through performed molecular docking simulations, dynamics binding free energy calculations, ADMET analysis. context, swertianolin, a xanthone heterocyclic compound proved be an efficient agonist inhibitor both KCSA-FAB. During simulation, swertianolin showed lower affinities compared all three standard drug controls (methaqualone, paroxetine, diazepam) used. It also its stability remain pocket induce action for extended period time control drugs. Binding calculations reveal that complex was stronger than respective target proteins. addition, analysis predicted zero toxic activity no negative effect on body metabolism. Therefore, being site-specific, functionally stable, null effects metabolism, could better neuromodulator near future.

Language: Английский

---

Synthesis, Characterization, Hirshfeld Surface Analysis, Crystal Structure and Molecular Modeling Studies of 1-(4-(Methoxy(phenyl)methyl)-2-methylphenoxy)butan-2-one Derivative as a Novel α-Glucosidase Inhibitor

Crystals, Journal Year: 2022, Volume and Issue: 12(7), P. 960 - 960

Published: July 9, 2022

The crystal compound was synthesized and characterized using conventional analytical techniques. C19H21O3 crystallizes in a monoclinic system with the space group P21/c. structure is stabilized by C-H…O interactions. further reinforced π-π During vitro inhibition of α-glucosidase, exhibited significant enzyme (IC50: 10.30 ± 0.25 µg/mL) comparison control, acarbose 12.00 0.10 µg/mL). Molecular docking studies were carried out for α-glucosidase protein model, which demonstrated that molecule has good binding affinity (−10.8 kcal/mol) compared (−8.2 kcal/mol). molecular dynamics simulations free energy calculations depicted stability throughout simulation period (100 ns). Further, Hirshfeld analysis order to understand packing pattern intermolecular difference between frontier orbitals (FMO) 4.95 eV.

Language: Английский

---

Synthesis, Spectroscopic Characterization, Antibacterial Activity, and Computational Studies of Novel Pyridazinone Derivatives

Molecules, Journal Year: 2023, Volume and Issue: 28(2), P. 678 - 678

Published: Jan. 9, 2023

In this work, a novel series of pyridazinone derivatives (3–17) were synthesized and characterized by NMR (1H 13C), FT-IR spectroscopies, ESI-MS methods. All compounds screened for their antibacterial activities against Staphylococcus aureus (Methicillin-resistant), Escherichia coli, Salmonella typhimurium, Pseudomonas aeruginosa, Acinetobacter baumannii. Among the series, 7 13 found to be active S. (MRSA), P. A. baumannii with lowest MIC value range 3.74–8.92 µM. Afterwards, DFT calculations B3LYP/6-31++G(d,p) level carried out investigate geometry structures, frontier molecular orbital, electrostatic potential maps, gap energies compounds. addition, these various bacterial proteins compared molecular-docking calculations. Finally, ADMET studies performed possibility using target as drugs.

Language: Английский

---