Matches in SemOpenAlex for { <https://semopenalex.org/work/W2093221205> ?p ?o ?g. }
Showing items 1 to 75 of
75
with 100 items per page.
- W2093221205 endingPage "105" @default.
- W2093221205 startingPage "96" @default.
- W2093221205 abstract "Background: Malaria, an infectious disease transmitted by mosquitoes, has affected the world since the beginning of recorded human history and it remains an ensconced global health challenge even today. Among the various proteases, expressed in the life cycle of parasite, cysteine protease falcipain-2 plays a pivotal role in parasite food assimilation and inhibition of this protease cause deleterious effects on the growth of parasite. Methods: Employing a ligand-based approach, 1-(4-(substituted)piperazin-1-yl)-2-(phenylamino)ethanone derivatives were designed and synthesized from the starting material piperazine in a sequence of reactions. Structural assignments are based on spectral data ( 1 H NMR, mass) and elemental analyses. The purity of the final compounds was confirmed by HPLC. The compounds were tested for their in vitro falcipain-2 inhibitor activity on recombinant falcipain-2 enzyme. Furthermore, molecular docking studies were performed using Glide 5.9 software to incur a precise picture of the active ligand at the atomic level which will be helpful in the discovery of new antimalarial drugs. Results: Among the screening results of seventeen novel entities, three compounds (6h, 6n and 6o) have showed good inhibitory activity and eleven compounds were showed weak to moderate inhibitor activity. Docking studies for these active analogues revealed that the amino acids Trp 206, Ile 85, Leu 84, Val 152 most commonly involved in hydrophobic interactions and Asn 173, Cys 42, Gln 36, amino acids involved in hydrogen bonding. Conclusion: The preliminary structure-activity relationships indicated that compound 6h, is the most potent compound from this series, and it can be used as a potential lead compound in the designing of new candidates to optimize the inhibitory potencies of this class of compounds, and potentially with potent antimalarial activity. Key words: Antimalarial, Falcipain-2, Ligand-based drug design, Plasmodium falciparum ." @default.
- W2093221205 created "2016-06-24" @default.
- W2093221205 creator A5004660030 @default.
- W2093221205 creator A5069843725 @default.
- W2093221205 date "2015-02-05" @default.
- W2093221205 modified "2023-09-24" @default.
- W2093221205 title "Evaluation of novel 1-(4-(substituted)piperazin-1-yl)- 2-(phenylamino)ethanone derivatives as Falcipain-2 inhibitors" @default.
- W2093221205 cites W1555648817 @default.
- W2093221205 cites W1969807003 @default.
- W2093221205 cites W1973780143 @default.
- W2093221205 cites W1977724107 @default.
- W2093221205 cites W1985588649 @default.
- W2093221205 cites W1987575637 @default.
- W2093221205 cites W1990296740 @default.
- W2093221205 cites W1998122353 @default.
- W2093221205 cites W1998492365 @default.
- W2093221205 cites W2018820755 @default.
- W2093221205 cites W2029985793 @default.
- W2093221205 cites W2037524636 @default.
- W2093221205 cites W2040033388 @default.
- W2093221205 cites W2047869602 @default.
- W2093221205 cites W2051381895 @default.
- W2093221205 cites W2063165473 @default.
- W2093221205 cites W2063684273 @default.
- W2093221205 cites W2070828985 @default.
- W2093221205 cites W2081327421 @default.
- W2093221205 cites W2083762132 @default.
- W2093221205 cites W2085936050 @default.
- W2093221205 cites W2091945221 @default.
- W2093221205 cites W2109688740 @default.
- W2093221205 cites W2130580441 @default.
- W2093221205 cites W2135732933 @default.
- W2093221205 cites W2151092952 @default.
- W2093221205 cites W2161311583 @default.
- W2093221205 doi "https://doi.org/10.5530/jyp.2015.2.7" @default.
- W2093221205 hasPublicationYear "2015" @default.
- W2093221205 type Work @default.
- W2093221205 sameAs 2093221205 @default.
- W2093221205 citedByCount "3" @default.
- W2093221205 countsByYear W20932212052015 @default.
- W2093221205 countsByYear W20932212052018 @default.
- W2093221205 countsByYear W20932212052019 @default.
- W2093221205 crossrefType "journal-article" @default.
- W2093221205 hasAuthorship W2093221205A5004660030 @default.
- W2093221205 hasAuthorship W2093221205A5069843725 @default.
- W2093221205 hasBestOaLocation W20932212051 @default.
- W2093221205 hasConcept C185592680 @default.
- W2093221205 hasConcept C71240020 @default.
- W2093221205 hasConcept C71924100 @default.
- W2093221205 hasConcept C98274493 @default.
- W2093221205 hasConceptScore W2093221205C185592680 @default.
- W2093221205 hasConceptScore W2093221205C71240020 @default.
- W2093221205 hasConceptScore W2093221205C71924100 @default.
- W2093221205 hasConceptScore W2093221205C98274493 @default.
- W2093221205 hasIssue "2" @default.
- W2093221205 hasLocation W20932212051 @default.
- W2093221205 hasOpenAccess W2093221205 @default.
- W2093221205 hasPrimaryLocation W20932212051 @default.
- W2093221205 hasRelatedWork W1531601525 @default.
- W2093221205 hasRelatedWork W1970974546 @default.
- W2093221205 hasRelatedWork W1990781990 @default.
- W2093221205 hasRelatedWork W1996140555 @default.
- W2093221205 hasRelatedWork W2606230654 @default.
- W2093221205 hasRelatedWork W2607424097 @default.
- W2093221205 hasRelatedWork W2748952813 @default.
- W2093221205 hasRelatedWork W2899084033 @default.
- W2093221205 hasRelatedWork W2948807893 @default.
- W2093221205 hasRelatedWork W2778153218 @default.
- W2093221205 hasVolume "7" @default.
- W2093221205 isParatext "false" @default.
- W2093221205 isRetracted "false" @default.
- W2093221205 magId "2093221205" @default.
- W2093221205 workType "article" @default.