Matches in SemOpenAlex for { <https://semopenalex.org/work/W2943403069> ?p ?o ?g. }
- W2943403069 abstract "Plants have always played important role in treating human and animal diseases as a therapeutic agent for traditional medicine. Through extensive research throughout the world, potential of natural products have been identified to control the over activity of many enzymes. In-silico screening a library of chlorogenic acid derivatives highlighted some novel compounds which were found effective against urease enzyme and cancer causing H. Pylori bacterium. Selected top ligands possessing minimum binding energy and good docking score were synthesized in wet lab by suitable procedure and evaluated for urease enzyme inhibition and free radical scavenging property. Synthetic scheme includes three step reactions i. e protection of hydroxyl group of quinic acid part of chlorogenic acid with lactonisation process, anilide formation by reaction with substituted anilines followed by extraction with ethyl acetate under vacuum and deprotection of hydroxyl groups by treatment with hydrochloric acid. In-vitro results of the series concluded that compounds C4a, C4d and C4b (IC50 11.01 ± 0.013, 13.8 ± 0.041 and 15.86 ± 0.004 µM respectively in urease inhibition and 5.10 ± 0.018, 5.34 ± 0.007 and 6.01 ± 0.005 µM in antioxidant property against DPPH) were found to be significantly potent with excellent dock score − 10.091, − 10.603, − 9.833 and binding energy − 62.674, − 63.352, 56.267 kg/mol as compared to standard drugs thiourea and acetohydroxamic acid (− 3.459, − 3.049 and − 21.156 kJ/mol and − 17.454 kJ/mol) whereas compounds C4c, C4(e, h) exhibited moderate in vivo activity when compared to standard. Selected candidates from the outcome of in vitro urease inhibitory were further examined for anti-H. Pylori activity by well diffusion method against H. pylori bacterium (DSM 4867). Compound C4a showed significant anti-H. Pylori activity with zone of inhibition 10.00 ± 0.00 mm and MIC value 500 μg/mL as compared to standard drug acetohydroxamic acid having zone of inhibition 9.00 ± 0.50 mm and MIC 1000 μg/mL. Molecular docking studies also showed that compounds show strong inhibition by forming strong hydrogen bonding interactions with residues of pocket site in target protein. Hence, the present investigation studies will provide a new vision for the discovery of potent agents against H. Pylori and urease associated diseases." @default.
- W2943403069 created "2019-05-09" @default.
- W2943403069 creator A5020403238 @default.
- W2943403069 creator A5033470724 @default.
- W2943403069 date "2019-03-28" @default.
- W2943403069 modified "2023-10-07" @default.
- W2943403069 title "In-silico design, synthesis, ADMET studies and biological evaluation of novel derivatives of Chlorogenic acid against Urease protein and H. Pylori bacterium" @default.
- W2943403069 cites W1244956254 @default.
- W2943403069 cites W1588757601 @default.
- W2943403069 cites W1598230113 @default.
- W2943403069 cites W1793256263 @default.
- W2943403069 cites W1912217738 @default.
- W2943403069 cites W1966521873 @default.
- W2943403069 cites W1968061852 @default.
- W2943403069 cites W1975640829 @default.
- W2943403069 cites W1978973147 @default.
- W2943403069 cites W1980695584 @default.
- W2943403069 cites W1985588649 @default.
- W2943403069 cites W1989517400 @default.
- W2943403069 cites W1997087041 @default.
- W2943403069 cites W2001751680 @default.
- W2943403069 cites W2008738984 @default.
- W2943403069 cites W2009228936 @default.
- W2943403069 cites W2009423060 @default.
- W2943403069 cites W2011483225 @default.
- W2943403069 cites W2012607472 @default.
- W2943403069 cites W2016614496 @default.
- W2943403069 cites W2023661403 @default.
- W2943403069 cites W2027265770 @default.
- W2943403069 cites W2033323055 @default.
- W2943403069 cites W2036709692 @default.
- W2943403069 cites W2037908119 @default.
- W2943403069 cites W2041269288 @default.
- W2943403069 cites W2046588215 @default.
- W2943403069 cites W2060164476 @default.
- W2943403069 cites W2067413401 @default.
- W2943403069 cites W2070424942 @default.
- W2943403069 cites W2075689213 @default.
- W2943403069 cites W2077216169 @default.
- W2943403069 cites W2080214167 @default.
- W2943403069 cites W2081831784 @default.
- W2943403069 cites W2081978133 @default.
- W2943403069 cites W2082798463 @default.
- W2943403069 cites W2085775866 @default.
- W2943403069 cites W2102377211 @default.
- W2943403069 cites W2104276052 @default.
- W2943403069 cites W2109983089 @default.
- W2943403069 cites W2116531314 @default.
- W2943403069 cites W2120191568 @default.
- W2943403069 cites W2125318487 @default.
- W2943403069 cites W2135732933 @default.
- W2943403069 cites W2147417012 @default.
- W2943403069 cites W2147512361 @default.
- W2943403069 cites W2148249801 @default.
- W2943403069 cites W2152333625 @default.
- W2943403069 cites W2163616416 @default.
- W2943403069 cites W2168558582 @default.
- W2943403069 cites W2233618889 @default.
- W2943403069 cites W2302167660 @default.
- W2943403069 cites W2316224053 @default.
- W2943403069 cites W2411067909 @default.
- W2943403069 cites W2536318942 @default.
- W2943403069 cites W2592338368 @default.
- W2943403069 cites W2731771427 @default.
- W2943403069 cites W2741731113 @default.
- W2943403069 cites W2771207122 @default.
- W2943403069 cites W2774720313 @default.
- W2943403069 cites W2781811385 @default.
- W2943403069 cites W2802305368 @default.
- W2943403069 cites W2900362016 @default.
- W2943403069 cites W2911985688 @default.
- W2943403069 cites W4239747192 @default.
- W2943403069 cites W4242372416 @default.
- W2943403069 cites W4254246059 @default.
- W2943403069 cites W73293075 @default.
- W2943403069 doi "https://doi.org/10.1186/s13065-019-0556-0" @default.
- W2943403069 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6661759" @default.
- W2943403069 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31384789" @default.
- W2943403069 hasPublicationYear "2019" @default.
- W2943403069 type Work @default.
- W2943403069 sameAs 2943403069 @default.
- W2943403069 citedByCount "13" @default.
- W2943403069 countsByYear W29434030692019 @default.
- W2943403069 countsByYear W29434030692020 @default.
- W2943403069 countsByYear W29434030692021 @default.
- W2943403069 countsByYear W29434030692022 @default.
- W2943403069 countsByYear W29434030692023 @default.
- W2943403069 crossrefType "journal-article" @default.
- W2943403069 hasAuthorship W2943403069A5020403238 @default.
- W2943403069 hasAuthorship W2943403069A5033470724 @default.
- W2943403069 hasBestOaLocation W29434030691 @default.
- W2943403069 hasConcept C159110408 @default.
- W2943403069 hasConcept C178790620 @default.
- W2943403069 hasConcept C181199279 @default.
- W2943403069 hasConcept C185592680 @default.
- W2943403069 hasConcept C2777402617 @default.
- W2943403069 hasConcept C2779521917 @default.
- W2943403069 hasConcept C2780117898 @default.
- W2943403069 hasConcept C2780538656 @default.
- W2943403069 hasConcept C2781421780 @default.