FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4308453359> ?p ?o ?g. }

• W4308453359 endingPage "100094" @default.
• W4308453359 startingPage "100094" @default.
• W4308453359 abstract "A series of tacrine-2-amide derivatives were synthesized and biologically evaluated for their acetylcholinesterase (AChE) inhibition studies. All synthesized compounds showed a good potency less than 100 ​nM. Of 11 analogues compounds 7b, 8a and 8c were found to exhibit good potency of 23.66 ​nM, 20 ​nM and 24.33 ​nM towards inhibition of acetylcholinesterase, respectively. Insilico study revealed that these compounds can bind strongly in catalytic active site (CAS) as well as peripheral active site (PAS) of enzyme. The docking results stated that the π-π stacking interaction, have a significant role in the protein-ligand binding and provide information about the binding enthalpy. The compound 7b shows good affinity with AChE, and possess a glide score of −10.38 ​kcal/mol and having a binding energy of −24.03 ​kcal/mol. The compound 7b showed interaction with Tyr341 and forming π-π stacking with Trp86. The compound 8a shows a glide score of −11.22 ​kcal/mol with a binding energy of −30.88 ​kcal/mol which is contributed by π-π stacking interaction with Trp86, and a hydrogen bond with amino group of tacrine with His447. The compound 8c showed a better glide score of −12.81 with binding affinity of −59.90 ​kcal/mol." @default.
• W4308453359 created "2022-11-12" @default.
• W4308453359 creator A5023632069 @default.
• W4308453359 creator A5027094750 @default.
• W4308453359 creator A5031649639 @default.
• W4308453359 creator A5032308857 @default.
• W4308453359 creator A5048198897 @default.
• W4308453359 creator A5073028598 @default.
• W4308453359 creator A5079247714 @default.
• W4308453359 date "2022-12-01" @default.
• W4308453359 modified "2023-09-27" @default.
• W4308453359 title "Design, synthesis and SAR studies of novel tacrine derivatives as potent cholinesterase inhibitors" @default.
• W4308453359 cites W1964740647 @default.
• W4308453359 cites W1965300654 @default.
• W4308453359 cites W1967711859 @default.
• W4308453359 cites W1973851363 @default.
• W4308453359 cites W1979683764 @default.
• W4308453359 cites W1983187927 @default.
• W4308453359 cites W1988202519 @default.
• W4308453359 cites W1994397669 @default.
• W4308453359 cites W1997266182 @default.
• W4308453359 cites W1999756573 @default.
• W4308453359 cites W2000158723 @default.
• W4308453359 cites W2008844684 @default.
• W4308453359 cites W2009221410 @default.
• W4308453359 cites W2009423060 @default.
• W4308453359 cites W2010426046 @default.
• W4308453359 cites W2013176372 @default.
• W4308453359 cites W2018234520 @default.
• W4308453359 cites W2018352404 @default.
• W4308453359 cites W2020067221 @default.
• W4308453359 cites W2029119021 @default.
• W4308453359 cites W2032753543 @default.
• W4308453359 cites W2034603582 @default.
• W4308453359 cites W2035271554 @default.
• W4308453359 cites W2045562525 @default.
• W4308453359 cites W2046252479 @default.
• W4308453359 cites W2046873306 @default.
• W4308453359 cites W2051966430 @default.
• W4308453359 cites W2054443504 @default.
• W4308453359 cites W2062159889 @default.
• W4308453359 cites W2062572062 @default.
• W4308453359 cites W2062930327 @default.
• W4308453359 cites W2063112684 @default.
• W4308453359 cites W2064340111 @default.
• W4308453359 cites W2066784983 @default.
• W4308453359 cites W2070075494 @default.
• W4308453359 cites W2076470489 @default.
• W4308453359 cites W2093154530 @default.
• W4308453359 cites W2096721251 @default.
• W4308453359 cites W2099853010 @default.
• W4308453359 cites W2112006614 @default.
• W4308453359 cites W2121322934 @default.
• W4308453359 cites W2133779850 @default.
• W4308453359 cites W2135732933 @default.
• W4308453359 cites W2141049316 @default.
• W4308453359 cites W2144135498 @default.
• W4308453359 cites W2177662400 @default.
• W4308453359 cites W2316329912 @default.
• W4308453359 cites W2326552962 @default.
• W4308453359 cites W2329696749 @default.
• W4308453359 cites W2333346687 @default.
• W4308453359 cites W2335643989 @default.
• W4308453359 cites W2340026231 @default.
• W4308453359 cites W2343878936 @default.
• W4308453359 cites W2346274463 @default.
• W4308453359 cites W2398548303 @default.
• W4308453359 cites W2416346424 @default.
• W4308453359 cites W2466387132 @default.
• W4308453359 cites W2491285314 @default.
• W4308453359 cites W2530342154 @default.
• W4308453359 cites W2538624834 @default.
• W4308453359 cites W2542856291 @default.
• W4308453359 cites W2550755034 @default.
• W4308453359 cites W2555174045 @default.
• W4308453359 cites W2566168481 @default.
• W4308453359 cites W2578407321 @default.
• W4308453359 cites W2584090676 @default.
• W4308453359 cites W2730396030 @default.
• W4308453359 cites W2741310665 @default.
• W4308453359 cites W2745018905 @default.
• W4308453359 cites W2758125332 @default.
• W4308453359 cites W2773981221 @default.
• W4308453359 cites W329917520 @default.
• W4308453359 cites W4247759744 @default.
• W4308453359 doi "https://doi.org/10.1016/j.ejmcr.2022.100094" @default.
• W4308453359 hasPublicationYear "2022" @default.
• W4308453359 type Work @default.
• W4308453359 citedByCount "0" @default.
• W4308453359 crossrefType "journal-article" @default.
• W4308453359 hasAuthorship W4308453359A5023632069 @default.
• W4308453359 hasAuthorship W4308453359A5027094750 @default.
• W4308453359 hasAuthorship W4308453359A5031649639 @default.
• W4308453359 hasAuthorship W4308453359A5032308857 @default.
• W4308453359 hasAuthorship W4308453359A5048198897 @default.
• W4308453359 hasAuthorship W4308453359A5073028598 @default.
• W4308453359 hasAuthorship W4308453359A5079247714 @default.
• W4308453359 hasConcept C112887158 @default.

• next