Current Topics in Medicinal Chemistry, Год журнала: 2023, Номер 23(13), С. 1211 - 1213
Опубликована: Май 1, 2023
Язык: Английский
Cancer Cell International, Год журнала: 2024, Номер 24(1)
Опубликована: Фев. 28, 2024
Cancer chemoresistance is a problematic dilemma that significantly restrains numerous cancer management protocols. It can promote recurrence, spreading of cancer, and finally, mortality. Accordingly, enhancing the responsiveness cells towards chemotherapies could be vital approach to overcoming chemoresistance. Tumour express high level sphingosine kinase-1 (SphK1), which acts as protooncogenic factor responsible for synthesis sphingosine-1 phosphate (S1P). S1P released through Human ATP-binding cassette (ABC) transporter interact with other phosphosphingolipids components in interstitial fluid tumor microenvironment (TME), provoking communication, progression, invasion, metastasis. Also, associated several impacts, including anti-apoptotic behavior, metastasis, mesenchymal transition (EMT), angiogenesis, chemotherapy resistance. Recent reports addressed levels carcinomas, ovarian, prostate, colorectal, breast, HCC. Therefore, targeting S1P/SphK signaling pathway an emerging therapeutic efficiently attenuate In this review, we comprehensively discussed functions, metabolism, transport, signaling. bioinformatic framework, pointed out alterations SphK1 gene expression within different cancers their impact on patient survival, demonstrated protein-protein network SphK1, elaborating its sparse roles. Furthermore, made emphasis machineries resistance tight link S1P. We evaluated all publicly available inhibitors inhibition activity using molecular docking how reduce production might chemoresistance, course treatment prognosis.
Язык: Английский
Процитировано
26
BioFactors, Год журнала: 2024, Номер 50(4), С. 634 - 673
Опубликована: Янв. 2, 2024
Abstract With the rising prevalence of diabetes and its association with cognitive impairment, interest in use dietary alkaloids other natural products has grown significantly. Understanding how these compounds manage diabetic dysfunction (DCD) is crucial. This comprehensive review explores etiology DCD effects foods supplements that have been investigated as therapies. Data on like berberine, trigonelline, caffeine, capsaicin, 1‐deoxynojirimycin, nuciferine, neferine, aegeline, tetramethylpyrazine, piperine, others regulate cognition disorders were collected from PubMed, Research Gate, Web Science, Science Direct, relevant databases. Dietary could improve memory behavioral models modulate mechanisms underlying benefits compounds, including their glucose metabolism, gut microbiota, vasculopathy, neuroinflammation, oxidative stress. Evidence suggests hold promise for improving patients open exciting avenues future research management.
Язык: Английский
Процитировано
5
Bioorganic Chemistry, Год журнала: 2024, Номер 147, С. 107373 - 107373
Опубликована: Апрель 15, 2024
Язык: Английский
Процитировано
5
Molecules, Год журнала: 2023, Номер 28(16), С. 6032 - 6032
Опубликована: Авг. 12, 2023
Alzheimer's disease (AD) is the prime cause of 65-80% dementia cases and caused by plaque tangle deposition in brain neurons leading to cell degeneration. β-secretase (BACE-1) a key enzyme responsible for depositing extracellular plaques made β-amyloid protein. Therefore, efforts are being applied develop novel BACE-1 inhibitors halt build-up. In our study, we analyzed some Elenbecestat analogues (a inhibitor currently clinical trials) using structure-based drug design scaffold morphing approach achieve superior therapeutic profile, followed silico studies, including molecular docking pharmacokinetics methodologies. Among all designed compounds, SB306 SB12 showed good interactions with catalytic dyad motifs (Asp228 Asp32) drug-likeliness properties high degree thermodynamic stability confirmed dynamic simulated system indicating inhibitory nature on BACE 1.
Язык: Английский
Процитировано
5
Bioinformatics and Biology Insights, Год журнала: 2024, Номер 18
Опубликована: Янв. 1, 2024
Type 2 diabetes is a major health concern contributing to most of diabetic cases worldwide. Mangiferin and its congeners are known for their diverse pharmacological properties. This study sought investigate the inhibitory property naturally occurring mangiferin on sodium-glucose co-transporter protein (SGLT-2) using comprehensive computational methods. The were subjected molecular docking, dynamics (MDs) simulation (100 ns), mechanics Poisson-Boltzmann surface area (MM-PBSA) binding free energy, density functional theory calculations (B3LYP 6-31G basis set), ADMET approaches identify potential SGLT-2 inhibitor. docking studies revealed neomangiferin (−9.0 kcal/mol) as hit molecule compared with dapagliflozin (−8.3 kcal/mol). Root-mean-square deviation (RMSD) root-mean-square fluctuation (RMSF) plots from MD simulations established that stabilizes better than dapagliflozin, standard drug. MM-PBSA energy showed (−26.05 elicited affinity (−17.42 electronic (3.48 eV) high electrophilicity index (3.31 (2.11 eV). Also, properties safe when administered subjects. current in silico suggest could emerge promising lead
Язык: Английский
Процитировано
1
Chemistry & Biodiversity, Год журнала: 2024, Номер unknown
Опубликована: Авг. 15, 2024
Abstract There is an increasing interest in using iridoids and secoiridoids as major targets for chemical synthesis biosynthesis. Iridoids can be found numerous species of Lamiaceae, Verbenaceae, Scrophulariaceae, other families. possess a structure characterized by cyclopentane ring with oxidative substituents, forming six‐membered ring. Various research groups have used these structures valuable starting materials regioselective stereoselective synthesis. This approach has enormous potential the production bioactive alkaloids, prostaglandin analogues, natural compounds. Because there currently no review on lamiide ipolamiide, this intends to pique researchers’ vital topic science drug discovery from naturally occurring iridoids. Lamiide ipolamiide useful tools pharmaceutical sector, enabling use plant metabolites variety medicinal compositions. Given that molecules appear substances treating human ailments, we get light them alternative therapeutic approaches compounds alone or combination which will potentially lead future (pre)‐clinical investigations.
Язык: Английский
Процитировано
0
Current Topics in Medicinal Chemistry, Год журнала: 2023, Номер 23(13), С. 1211 - 1213
Опубликована: Май 1, 2023
Язык: Английский
Процитировано
0