Matches in SemOpenAlex for { <https://semopenalex.org/work/W2364785042> ?p ?o ?g. }
Showing items 1 to 63 of
63
with 100 items per page.
- W2364785042 abstract "Objective To make a theoretical calculation on the structure of 10 kinds of matrine type alkaloid compounds by using the quantum chemistry density functional methods(DFT),and to analyze their anti-HBV activity. Methods The geometric and electronic structures of matrine typed alkaloids were optimized by DFT(B3LYP) method first,then the relationship of the matrines' molecular structures and their anti-HBV activity was analyzed based on the theoretical calculation,and the structure-activity relationship model was established by heuristic method(HM). Results A preferable QSAR equation was obtained: IR=-0.155-0.023 MSA+0.078 Sxy(R=0.82,q=0.72). Conclusion Dipole,molecular surface area,stability of acid amide bond and Q C13 are important factors affecting the anti-HBV activity of matrine type alkaloid compounds." @default.
- W2364785042 created "2016-06-24" @default.
- W2364785042 creator A5066306211 @default.
- W2364785042 date "2011-01-01" @default.
- W2364785042 modified "2023-09-26" @default.
- W2364785042 title "DFT Studies on the Matrine Type Alkaloids and Their Anti-HBV Activity" @default.
- W2364785042 hasPublicationYear "2011" @default.
- W2364785042 type Work @default.
- W2364785042 sameAs 2364785042 @default.
- W2364785042 citedByCount "0" @default.
- W2364785042 crossrefType "journal-article" @default.
- W2364785042 hasAuthorship W2364785042A5066306211 @default.
- W2364785042 hasConcept C147597530 @default.
- W2364785042 hasConcept C152365726 @default.
- W2364785042 hasConcept C164126121 @default.
- W2364785042 hasConcept C178790620 @default.
- W2364785042 hasConcept C185592680 @default.
- W2364785042 hasConcept C18903297 @default.
- W2364785042 hasConcept C2776545273 @default.
- W2364785042 hasConcept C2777299769 @default.
- W2364785042 hasConcept C2778439535 @default.
- W2364785042 hasConcept C43617362 @default.
- W2364785042 hasConcept C71240020 @default.
- W2364785042 hasConcept C86803240 @default.
- W2364785042 hasConceptScore W2364785042C147597530 @default.
- W2364785042 hasConceptScore W2364785042C152365726 @default.
- W2364785042 hasConceptScore W2364785042C164126121 @default.
- W2364785042 hasConceptScore W2364785042C178790620 @default.
- W2364785042 hasConceptScore W2364785042C185592680 @default.
- W2364785042 hasConceptScore W2364785042C18903297 @default.
- W2364785042 hasConceptScore W2364785042C2776545273 @default.
- W2364785042 hasConceptScore W2364785042C2777299769 @default.
- W2364785042 hasConceptScore W2364785042C2778439535 @default.
- W2364785042 hasConceptScore W2364785042C43617362 @default.
- W2364785042 hasConceptScore W2364785042C71240020 @default.
- W2364785042 hasConceptScore W2364785042C86803240 @default.
- W2364785042 hasLocation W23647850421 @default.
- W2364785042 hasOpenAccess W2364785042 @default.
- W2364785042 hasPrimaryLocation W23647850421 @default.
- W2364785042 hasRelatedWork W1536251741 @default.
- W2364785042 hasRelatedWork W1981821398 @default.
- W2364785042 hasRelatedWork W2019675566 @default.
- W2364785042 hasRelatedWork W2020686246 @default.
- W2364785042 hasRelatedWork W2049665122 @default.
- W2364785042 hasRelatedWork W2060665998 @default.
- W2364785042 hasRelatedWork W2061884920 @default.
- W2364785042 hasRelatedWork W2095453543 @default.
- W2364785042 hasRelatedWork W2112497287 @default.
- W2364785042 hasRelatedWork W2164012756 @default.
- W2364785042 hasRelatedWork W2338999889 @default.
- W2364785042 hasRelatedWork W2341447679 @default.
- W2364785042 hasRelatedWork W2361504992 @default.
- W2364785042 hasRelatedWork W2370087285 @default.
- W2364785042 hasRelatedWork W2375285902 @default.
- W2364785042 hasRelatedWork W2380524993 @default.
- W2364785042 hasRelatedWork W2385868192 @default.
- W2364785042 hasRelatedWork W2385926708 @default.
- W2364785042 hasRelatedWork W2386605772 @default.
- W2364785042 hasRelatedWork W2185723809 @default.
- W2364785042 isParatext "false" @default.
- W2364785042 isRetracted "false" @default.
- W2364785042 magId "2364785042" @default.
- W2364785042 workType "article" @default.