FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4280632020> ?p ?o ?g. }

• W4280632020 endingPage "17357" @default.
• W4280632020 startingPage "17339" @default.
• W4280632020 abstract "Lepidium meyenii or Maca is widely cultivated as a health care food supplement due to its nutritional and medicinal properties. Although there are a few in-depth studies evaluating Maca antihypertensive effects, the correlations between the chemical constituents and bioactivity of the plant have not been studied before. Thus, the roots were extracted using different solvents (aqueous, methanol, 50% methanol, and methylene chloride) and investigated for their antihypertensive and antioxidant activities through several in vitro assays. The methanolic extract exhibited the best renin and angiotensin converting enzyme (ACE) inhibitory activities with IC50 values of 24.79 ± 1.3 ng/mL and 22.02 ± 1.1 ng/mL, respectively, along with the highest antioxidant activity. In total, 120 metabolites from different classes, e.g., alkylamides, alkaloids, glucosinolates, organic acids, and hydantoin derivatives, were identified in the methanolic extract using ultrahigh-performance liquid chromatography/high-resolution mass spectrometry (UPLC/HRMS). Molecular docking simulations were used to investigate the potential binding modes and the intermolecular interactions of the identified compounds with ACE and renin active sites. Glucotropaeolin, β-carboline alkaloids, succinic acid, and 2,4-dihydroxy-3,5-cyclopentyl dienoic acid showed the highest affinity to target the ACE with high docking scores (S ranging from -35.32 to -22.51 kcal mol-1) compared to lisinopril (S = -36.64 kcal mol-1). Interestingly, macamides displayed the greatest binding affinity to the active site of renin with docking scores (S ranging from -22.47 to -28.25 kcal mol-1). Further, β-carbolines achieved docking scores comparable to that of the native ligand (S ranging from -13.50 to -20.06 kcal mol-1). Molecular dynamics simulations and MMPBSA were also carried out and confirmed the docking results. Additionally, the computational ADMET study predicted that the compounds attaining promising docking results had proper pharmacokinetics, drug-likeness characteristics, and safe toxicological profiles. Ultimately, our findings revealed that Maca roots could be considered a promising candidate as an antihypertensive drug." @default.
• W4280632020 created "2022-05-22" @default.
• W4280632020 creator A5006712950 @default.
• W4280632020 creator A5029333183 @default.
• W4280632020 creator A5046014569 @default.
• W4280632020 creator A5060358836 @default.
• W4280632020 date "2022-05-11" @default.
• W4280632020 modified "2023-10-06" @default.
• W4280632020 title "<i>Lepidium meyenii</i> (Maca) Roots: UPLC-HRMS, Molecular Docking, and Molecular Dynamics" @default.
• W4280632020 cites W1025441034 @default.
• W4280632020 cites W1557439438 @default.
• W4280632020 cites W1769100386 @default.
• W4280632020 cites W1876437971 @default.
• W4280632020 cites W1965256855 @default.
• W4280632020 cites W1980303483 @default.
• W4280632020 cites W1980921089 @default.
• W4280632020 cites W1981021420 @default.
• W4280632020 cites W1989806335 @default.
• W4280632020 cites W2011617473 @default.
• W4280632020 cites W2020948394 @default.
• W4280632020 cites W2023801595 @default.
• W4280632020 cites W2029667189 @default.
• W4280632020 cites W2033898136 @default.
• W4280632020 cites W2035560105 @default.
• W4280632020 cites W2036122093 @default.
• W4280632020 cites W2040261924 @default.
• W4280632020 cites W2043621820 @default.
• W4280632020 cites W2048565557 @default.
• W4280632020 cites W2080142761 @default.
• W4280632020 cites W2083556212 @default.
• W4280632020 cites W2093186603 @default.
• W4280632020 cites W2097638191 @default.
• W4280632020 cites W2132629607 @default.
• W4280632020 cites W2135732933 @default.
• W4280632020 cites W2156264591 @default.
• W4280632020 cites W2179085006 @default.
• W4280632020 cites W2194904526 @default.
• W4280632020 cites W2404280981 @default.
• W4280632020 cites W2555069889 @default.
• W4280632020 cites W2566387843 @default.
• W4280632020 cites W2586538283 @default.
• W4280632020 cites W2589100190 @default.
• W4280632020 cites W2593436234 @default.
• W4280632020 cites W2595249724 @default.
• W4280632020 cites W2755371398 @default.
• W4280632020 cites W2775052252 @default.
• W4280632020 cites W2779628694 @default.
• W4280632020 cites W2790304498 @default.
• W4280632020 cites W2808820242 @default.
• W4280632020 cites W2888250188 @default.
• W4280632020 cites W2888813376 @default.
• W4280632020 cites W2891432068 @default.
• W4280632020 cites W2904366894 @default.
• W4280632020 cites W2918121499 @default.
• W4280632020 cites W2922960755 @default.
• W4280632020 cites W2945919310 @default.
• W4280632020 cites W2966949296 @default.
• W4280632020 cites W2969729741 @default.
• W4280632020 cites W2976247256 @default.
• W4280632020 cites W3027769079 @default.
• W4280632020 cites W3036405827 @default.
• W4280632020 cites W3047444443 @default.
• W4280632020 cites W3095402344 @default.
• W4280632020 cites W3097345606 @default.
• W4280632020 cites W3117677254 @default.
• W4280632020 cites W3135500499 @default.
• W4280632020 cites W3144396601 @default.
• W4280632020 cites W3156523312 @default.
• W4280632020 cites W3176082086 @default.
• W4280632020 cites W3181781557 @default.
• W4280632020 cites W3202287440 @default.
• W4280632020 cites W4248107770 @default.
• W4280632020 doi "https://doi.org/10.1021/acsomega.2c01342" @default.
• W4280632020 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35647470" @default.
• W4280632020 hasPublicationYear "2022" @default.
• W4280632020 type Work @default.
• W4280632020 citedByCount "9" @default.
• W4280632020 countsByYear W42806320202022 @default.
• W4280632020 countsByYear W42806320202023 @default.
• W4280632020 crossrefType "journal-article" @default.
• W4280632020 hasAuthorship W4280632020A5006712950 @default.
• W4280632020 hasAuthorship W4280632020A5029333183 @default.
• W4280632020 hasAuthorship W4280632020A5046014569 @default.
• W4280632020 hasAuthorship W4280632020A5060358836 @default.
• W4280632020 hasBestOaLocation W42806320201 @default.
• W4280632020 hasConcept C159110408 @default.
• W4280632020 hasConcept C178790620 @default.
• W4280632020 hasConcept C179998833 @default.
• W4280632020 hasConcept C185592680 @default.
• W4280632020 hasConcept C2778004101 @default.
• W4280632020 hasConcept C41685203 @default.
• W4280632020 hasConcept C43617362 @default.
• W4280632020 hasConcept C71240020 @default.
• W4280632020 hasConcept C71924100 @default.
• W4280632020 hasConceptScore W4280632020C159110408 @default.
• W4280632020 hasConceptScore W4280632020C178790620 @default.
• W4280632020 hasConceptScore W4280632020C179998833 @default.
• W4280632020 hasConceptScore W4280632020C185592680 @default.

• next