Matches in SemOpenAlex for { <https://semopenalex.org/work/W2575551492> ?p ?o ?g. }
Showing items 1 to 84 of
84
with 100 items per page.
- W2575551492 abstract "Human immunodeficiency virus (HIV) is a lentivirus, a member of the retrovirus family, which leads to acquired immunodeficiency syndrome (AIDS). HIV is present as both free virus particles and virus within infected immune cells. Integration of viral DNA into the host chromosome is the key process in the HIV replication cycle and therefore Integrase has served as an attractive target for antivirals. HIV-1 Integrase (HIV-1 IN) is an essential enzyme in the life cycle of the virus, responsible for catalyzing the insertion of the viral genome into the host cell chromosome and it provides an attractive target for antiviral drug design. Antiretroviral treatment reduces both the mortality and the morbidity of HIV infection. Raltegravir, also known as Isentress and MK-0518, is a well known integrase inhibitor. This prevents the virus from making new copies of HIV. Structures similar to this compound were identified and molecular modeling studies has been performed with HIV-1 IN as target molecule using SchrA¶dinger Suite 2007. PASS (prediction of activity spectra for substances) prediction of the compounds was carried out and all compounds exhibited anti-viral activity. These compounds show favorable interactions with the amino acid residues and the metal ion (Mg2+) at the active site of HIV-1 IN thereby substantiating their proven efficacy as anti-viral compounds. Further, their ADME (Absorption, Digestion, Metabolism and Excretion) screening was also carried out in order to check their potency to be used for second-generation drug development. The work demonstrates that molecular modeling, activity prediction and screening of the compounds for their subsequent ADME properties is a promising approach to predict the binding activity of compounds to the receptor." @default.
- W2575551492 created "2017-01-26" @default.
- W2575551492 creator A5005929174 @default.
- W2575551492 creator A5083461364 @default.
- W2575551492 date "2013-05-26" @default.
- W2575551492 modified "2023-10-05" @default.
- W2575551492 title "Molecular Modeling Studies and ADME Screening on HIV-1 Integrase Inhibitors as Anti-Viral Agents" @default.
- W2575551492 cites W1604319891 @default.
- W2575551492 cites W1972130106 @default.
- W2575551492 cites W2000993620 @default.
- W2575551492 cites W2006572311 @default.
- W2575551492 cites W2011006965 @default.
- W2575551492 cites W2032891258 @default.
- W2575551492 cites W2050310420 @default.
- W2575551492 cites W2056182928 @default.
- W2575551492 cites W2065576989 @default.
- W2575551492 cites W2071189977 @default.
- W2575551492 cites W2072692396 @default.
- W2575551492 cites W2073953215 @default.
- W2575551492 cites W2085992210 @default.
- W2575551492 cites W2089882643 @default.
- W2575551492 cites W2113428012 @default.
- W2575551492 cites W2120924809 @default.
- W2575551492 cites W2123221690 @default.
- W2575551492 cites W2140854337 @default.
- W2575551492 cites W2164778451 @default.
- W2575551492 cites W2171044922 @default.
- W2575551492 cites W2171711893 @default.
- W2575551492 cites W218277912 @default.
- W2575551492 cites W632553111 @default.
- W2575551492 doi "https://doi.org/10.5281/zenodo.3348224" @default.
- W2575551492 hasPublicationYear "2013" @default.
- W2575551492 type Work @default.
- W2575551492 sameAs 2575551492 @default.
- W2575551492 citedByCount "1" @default.
- W2575551492 countsByYear W25755514922013 @default.
- W2575551492 crossrefType "journal-article" @default.
- W2575551492 hasAuthorship W2575551492A5005929174 @default.
- W2575551492 hasAuthorship W2575551492A5083461364 @default.
- W2575551492 hasBestOaLocation W25755514921 @default.
- W2575551492 hasConcept C142462285 @default.
- W2575551492 hasConcept C14430832 @default.
- W2575551492 hasConcept C159047783 @default.
- W2575551492 hasConcept C185592680 @default.
- W2575551492 hasConcept C2777302000 @default.
- W2575551492 hasConcept C2780035454 @default.
- W2575551492 hasConcept C2993143319 @default.
- W2575551492 hasConcept C3013748606 @default.
- W2575551492 hasConcept C69366308 @default.
- W2575551492 hasConcept C70721500 @default.
- W2575551492 hasConcept C71924100 @default.
- W2575551492 hasConcept C86803240 @default.
- W2575551492 hasConcept C98274493 @default.
- W2575551492 hasConceptScore W2575551492C142462285 @default.
- W2575551492 hasConceptScore W2575551492C14430832 @default.
- W2575551492 hasConceptScore W2575551492C159047783 @default.
- W2575551492 hasConceptScore W2575551492C185592680 @default.
- W2575551492 hasConceptScore W2575551492C2777302000 @default.
- W2575551492 hasConceptScore W2575551492C2780035454 @default.
- W2575551492 hasConceptScore W2575551492C2993143319 @default.
- W2575551492 hasConceptScore W2575551492C3013748606 @default.
- W2575551492 hasConceptScore W2575551492C69366308 @default.
- W2575551492 hasConceptScore W2575551492C70721500 @default.
- W2575551492 hasConceptScore W2575551492C71924100 @default.
- W2575551492 hasConceptScore W2575551492C86803240 @default.
- W2575551492 hasConceptScore W2575551492C98274493 @default.
- W2575551492 hasLocation W25755514921 @default.
- W2575551492 hasLocation W25755514922 @default.
- W2575551492 hasOpenAccess W2575551492 @default.
- W2575551492 hasPrimaryLocation W25755514921 @default.
- W2575551492 hasRelatedWork W1857359214 @default.
- W2575551492 hasRelatedWork W1975823896 @default.
- W2575551492 hasRelatedWork W1975847276 @default.
- W2575551492 hasRelatedWork W2067080462 @default.
- W2575551492 hasRelatedWork W2259409153 @default.
- W2575551492 hasRelatedWork W2392278554 @default.
- W2575551492 hasRelatedWork W2433355919 @default.
- W2575551492 hasRelatedWork W2434135426 @default.
- W2575551492 hasRelatedWork W2523753142 @default.
- W2575551492 hasRelatedWork W4200285417 @default.
- W2575551492 isParatext "false" @default.
- W2575551492 isRetracted "false" @default.
- W2575551492 magId "2575551492" @default.
- W2575551492 workType "article" @default.