Pleiotropic Potential of Evernia prunastri Extracts and Their Main Compounds Evernic Acid and Atranorin: In Vitro and In Silico Studies DOI Creative Commons
Elżbieta Studzińska-Sroka, Magdalena Bulicz,

Marika Henkel

et al.

Molecules, Journal Year: 2023, Volume and Issue: 29(1), P. 233 - 233

Published: Dec. 31, 2023

Evernia prunastri is a lichen widely distributed in the Northern Hemisphere. Its biological properties still need to be discovered. Therefore, our paper focuses on studies of E. extracts, including its main metabolites evernic acid (EA) or atranorin (ATR). Phytochemical profiles using chromatographic analysis were confirmed. The antioxidant activity was evaluated vitro chemical tests and enzymatic cells-free tests, namely superoxide dismutase (SOD), glutathione peroxidase (GPx), reductase (GR), catalase (CAT). anti-inflammatory potential cyclooxygenase-2 (COX-2) hyaluronidase determined. neuroprotective acetylcholinesterase, (AChE), butyrylcholinesterase (BChE), tyrosinase (Tyr) estimated. hypoglycemic also confirmed (α-glucosidase). Principal component performed determine relationship between extracts. inhibitory effect EA ATR COX-2 AChE, BChE, Tyr, α-glucosidase molecular docking techniques for (besides α-glucosidase). penetration from extracts through blood–brain barrier parallel artificial membrane permeability assay test. In conclusion, depending surroundings concentration, ATR, showed attractive pleiotropic properties, which should further investigated.

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 DOI Creative Commons
Harshit Sajal, Shashank M. Patil, Ranjith Raj

et al.

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

Citations

40
Current development of 1,2,3-triazole derived potential antimalarial scaffolds: Structure- activity relationship (SAR) and bioactive compounds DOI

S. Maheen Abdul Rahman,

Jasvinder Singh Bhatti, Suresh Thareja

et al.

European Journal of Medicinal Chemistry, Journal Year: 2023, Volume and Issue: 259, P. 115699 - 115699

Published: July 30, 2023

Language: Английский

Citations

40
Recent advances on biologically active coumarin-based hybrid compounds DOI
Metin Yıldırım, Samet Poyraz, Mehmet Erşatır

et al.

Medicinal Chemistry Research, Journal Year: 2023, Volume and Issue: 32(4), P. 617 - 642

Published: Feb. 9, 2023

Language: Английский

Citations

37
Innovation of 6-sulfonamide-2H-chromene derivatives as antidiabetic agents targeting α-amylase, α-glycosidase, and PPAR-γ inhibitors with in silico molecular docking simulation DOI Creative Commons
Hamdy Khamees Thabet, Ahmed Ragab, Mohd Imran

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(22), P. 15691 - 15705

Published: Jan. 1, 2024

A new series of 2-imino or 2-oxo-2

Language: Английский

Citations

10
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 DOI Creative Commons

Tejaswini Maradesha,

Reshma Mary Martiz, Shashank M. Patil

et al.

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

Citations

21
Antidiabetic Activity of Potential Probiotics Limosilactobacillus spp., Levilactobacillus spp., and Lacticaseibacillus spp. Isolated from Fermented Sugarcane Juice: A Comprehensive In Vitro and In Silico Study DOI Open Access
V. Kumari,

Sujay S. Huligere,

Ghallab Alotaibi

et al.

Nutrients, Journal Year: 2023, Volume and Issue: 15(8), P. 1882 - 1882

Published: April 13, 2023

Probiotics are regarded as a potential source of functional foods for improving the microbiota in human gut. When consumed, these bacteria can control metabolism biomolecules, which has numerous positive effects on health. Our objective was to identify probiotic putative Lactobacillus spp. from fermented sugarcane juice that prevent α-glucosidase and α-amylase hydrolyzing carbohydrates. Isolates were subjected biochemical, molecular characterization (16S rRNA) assessed traits. Cell-free supernatant (CS) extract (CE) also intact cells (IC) examined inhibitory effect α-amylase. CS strain showed highest inhibition liquid chromatography–mass spectrometry (LCMS) analysis determine organic acid profile. The silico approach employed assess stability comprehend enzyme inhibitors’ impact. Nine isolates retained further investigation based preliminary biochemical evaluation. Limosilactobacillus spp., Levilactobacillus Lacticaseibacillus identified similarity > 95% homology search (NCBI database). strains had higher survival rate (>98%) than gastric intestinal fluids, high capacity adhesion (hydrophobicity 56%; aggregation 80%; HT-29 54%; buccal epithelial 54%). hemolytic assay indicated could be considered safe. isolates’ derivatives inhibited enzymes varying degrees, with ranging 21 85% 18 75%, respectively. RAMULAB54 profiled abundance hydroxycitric acid, citric lactic indicating their role observed effects. led us understand ability inhibit both (α-glucosidase α-amylase) effectively. Inhibiting helps moderate postprandial hyperglycemia regulates blood glucose levels. Due promising antidiabetic potential, used enhance

Language: Английский

Citations

19
Arylureidoaurones: Synthesis, in vitro α-glucosidase, and α-amylase inhibition activity DOI

Mohammad Kazempour-Dizaji,

Somayeh Mojtabavi, Arash Sadri

et al.

Bioorganic Chemistry, Journal Year: 2023, Volume and Issue: 139, P. 106709 - 106709

Published: July 1, 2023

Language: Английский

Citations

17
Recent Advances in the Development of Alpha-Glucosidase and Alpha-Amylase Inhibitors in Type 2 Diabetes Management: Insights from In silico to In vitro Studies DOI
Fariya Khan, Mohsin Vahid Khan, Ajay Kumar

et al.

Current Drug Targets, Journal Year: 2024, Volume and Issue: 25(12), P. 782 - 795

Published: Aug. 12, 2024

Diabetes is a metabolic disorder caused by high glucose levels, leading to serious threats such as diabetic neuropathy and cardiovascular diseases. One of the most reliable measures for controlling postprandial hyperglycemia reduce level inhibiting enzymes in digestive system, Alpha-Glucosidase Alpha-Amylase. Here, we have investigated use inhibitors inhibit carbohydrate metabolism order restrict levels patients. Acarbose, Voglibose, Miglitol are three approved FDA that efficiently these two thereby minimising but al-so significantly helpful reducing risk effects. We also provide insight into other known currently available market. The adverse effects associated with emphasise demand latest silico screening vitro validation development potent greater efficacy safety treatment Type 2 diabetes. recent findings suggest Alpha-Amylase play major role triggering increase levels. This review pro-vides scientific literature related well primary secondary potential candidates. Moreover, this elaborates framework on mechanism action, different plant sources extraction enzymes, kinetic assay their interaction can be used future prospects de-velop leads combat

Language: Английский

Citations

6
Screening for potential novel probiotic Levilactobacillus brevis RAMULAB52 with antihyperglycemic property from fermented Carica papaya L. DOI Creative Commons
Navya Sreepathi, V. Kumari,

Sujay S. Huligere

et al.

Frontiers in Microbiology, Journal Year: 2023, Volume and Issue: 14

Published: June 20, 2023

Probiotics are live microorganisms with various health benefits when consumed in appropriate amounts. Fermented foods a rich source of these beneficial organisms. This study aimed to investigate the probiotic potential lactic acid bacteria (LAB) isolated from fermented papaya (Carica L.) through vitro methods. The LAB strains were thoroughly characterized, considering their morphological, physiological, fermentative, biochemical, and molecular properties. strain's adherence resistance gastrointestinal conditions, as well its antibacterial antioxidant capabilities, examined. Moreover, tested for susceptibility against specific antibiotics, safety evaluations encompassed hemolytic assay DNase activity. supernatant isolate underwent organic profiling (LCMS). primary objective this was assess inhibitory activity α-amylase α-glucosidase enzymes, both silico. Gram-positive that catalase-negative carbohydrate fermenting selected further analysis. exhibited bile (0.3% 1%), phenol (0.1% 0.4%), simulated juice (pH 3-8). It demonstrated potent abilities kanamycin, vancomycin, methicillin. strain showed autoaggregation (83%) adhesion chicken crop epithelial cells, buccal HT-29 cells. Safety assessments indicated no evidence hemolysis or DNA degradation, confirming isolates. isolate's identity confirmed using 16S rRNA sequence. Levilactobacillus brevis RAMULAB52, derived papaya, promising significant inhibition (86.97%) (75.87%) enzymes. In silico studies uncovered hydroxycitric acid, one acids isolate, interacted crucial amino residues target Specifically, formed hydrogen bonds key residues, such GLU233 ASP197 α-amylase, ASN241, ARG312, GLU304, SER308, HIS279, PRO309, PHE311 α-glucosidase. conclusion, possesses properties exhibits an effective remedy diabetes. Its abilities, different cell types, enzymes make it valuable candidate research application field probiotics diabetes management.

Language: Английский

Citations

14
Phyto-Computational Intervention of Diabetes Mellitus at Multiple Stages Using Isoeugenol from Ocimum tenuiflorum: A Combination of Pharmacokinetics and Molecular Modelling Approaches DOI Creative Commons
Reshma Mary Martiz, Shashank M. Patil,

Deepika Thirumalapura Hombegowda

et al.

Molecules, Journal Year: 2022, Volume and Issue: 27(19), P. 6222 - 6222

Published: Sept. 22, 2022

In the present study, anti-diabetic potential of Ocimum tenuiflorum was investigated using computational techniques for α-glucosidase, α-amylase, aldose reductase, and glycation at multiple stages. It aimed to elucidate mechanism by which phytocompounds O. treat diabetes mellitus concepts druglikeness pharmacokinetics, molecular docking simulations, dynamics binding free energy studies. Isoeugenol is a phenylpropene, propenyl-substituted guaiacol found in essential oils plants. During modelling, isoeugenol inhibit all target enzymes, with higher efficiency than standard drugs. Furthermore, dynamic experiments revealed that more stable pockets drugs used. Since our aim discover single lead molecule stability, selected. this context, study stands contrast other studies report on one compound, making it difficult offer further analyses. To summarize, we recommend as widely employed inhibitor based results silico studies, therefore revealing novel phytocompound effective treatment hyperglycemia mellitus.

Language: Английский

Citations

20