Matches in SemOpenAlex for { <https://semopenalex.org/work/W2943120169> ?p ?o ?g. }
- W2943120169 abstract "Abstract The Crimean-Congo Hemorrhagic Fever virus (CCHFV) is a segmented negative single-stranded RNA virus (−ssRNA) which causes severe hemorrhagic fever in humans with a mortality rate of ~50%. To date, no vaccine has been approved. Treatment is limited to supportive care with few investigational drugs in practice. Previous studies have identified viral RNA dependent RNA Polymerase (RdRp) as a potential drug target due to its significant role in viral replication and transcription. Since no crystal structure is available yet, we report the structural elucidation of CCHFV-RdRp by in-depth homology modeling. Even with low sequence identity, the generated model suggests a similar overall structure as previously reported RdRps. More specifically, the model suggests the presence of structural/functional conserved RdRp motifs for polymerase function, the configuration of uniform spatial arrangement of core RdRp sub-domains, and predicted positively charged entry/exit tunnels, as seen in sNSV polymerases. Extensive pharmacophore modeling based on per-residue energy contribution with investigational drugs allowed the concise mapping of pharmacophoric features and identified potential hits. The combination of pharmacophoric features with interaction energy analysis revealed functionally important residues in the conserved motifs together with in silico predicted common inhibitory binding modes with highly potent reference compounds." @default.
- W2943120169 created "2019-05-09" @default.
- W2943120169 creator A5004392631 @default.
- W2943120169 creator A5009035731 @default.
- W2943120169 creator A5028663746 @default.
- W2943120169 creator A5059670680 @default.
- W2943120169 creator A5086078571 @default.
- W2943120169 creator A5090759887 @default.
- W2943120169 date "2019-05-02" @default.
- W2943120169 modified "2023-09-26" @default.
- W2943120169 title "In silico structural elucidation of RNA-dependent RNA polymerase towards the identification of potential Crimean-Congo Hemorrhagic Fever Virus inhibitors" @default.
- W2943120169 cites W1488907516 @default.
- W2943120169 cites W1515293536 @default.
- W2943120169 cites W1520835950 @default.
- W2943120169 cites W1582561043 @default.
- W2943120169 cites W1592371672 @default.
- W2943120169 cites W1595347157 @default.
- W2943120169 cites W1596454700 @default.
- W2943120169 cites W166428246 @default.
- W2943120169 cites W1854810044 @default.
- W2943120169 cites W1857763546 @default.
- W2943120169 cites W1903837413 @default.
- W2943120169 cites W195064984 @default.
- W2943120169 cites W1956663338 @default.
- W2943120169 cites W1965569621 @default.
- W2943120169 cites W1966172022 @default.
- W2943120169 cites W1969370763 @default.
- W2943120169 cites W1970864586 @default.
- W2943120169 cites W1972019991 @default.
- W2943120169 cites W1972132067 @default.
- W2943120169 cites W1973974137 @default.
- W2943120169 cites W1975084994 @default.
- W2943120169 cites W1975556170 @default.
- W2943120169 cites W1976261957 @default.
- W2943120169 cites W1978304263 @default.
- W2943120169 cites W1980058768 @default.
- W2943120169 cites W1981123690 @default.
- W2943120169 cites W1981207136 @default.
- W2943120169 cites W1981264193 @default.
- W2943120169 cites W1992252124 @default.
- W2943120169 cites W1994271170 @default.
- W2943120169 cites W1999035120 @default.
- W2943120169 cites W1999800992 @default.
- W2943120169 cites W2000455453 @default.
- W2943120169 cites W2003076573 @default.
- W2943120169 cites W2006197769 @default.
- W2943120169 cites W2007054671 @default.
- W2943120169 cites W2007519896 @default.
- W2943120169 cites W2009178147 @default.
- W2943120169 cites W2011505858 @default.
- W2943120169 cites W2011590120 @default.
- W2943120169 cites W2012419248 @default.
- W2943120169 cites W2013539008 @default.
- W2943120169 cites W2014858249 @default.
- W2943120169 cites W2014990343 @default.
- W2943120169 cites W2015237203 @default.
- W2943120169 cites W2018661561 @default.
- W2943120169 cites W2019100213 @default.
- W2943120169 cites W2019951137 @default.
- W2943120169 cites W2020202215 @default.
- W2943120169 cites W2022434050 @default.
- W2943120169 cites W2026106960 @default.
- W2943120169 cites W2026897107 @default.
- W2943120169 cites W2027847351 @default.
- W2943120169 cites W2030140401 @default.
- W2943120169 cites W2030140637 @default.
- W2943120169 cites W2033342433 @default.
- W2943120169 cites W2035620520 @default.
- W2943120169 cites W2037312364 @default.
- W2943120169 cites W2039396665 @default.
- W2943120169 cites W2039941020 @default.
- W2943120169 cites W2043509228 @default.
- W2943120169 cites W2044080338 @default.
- W2943120169 cites W2044123818 @default.
- W2943120169 cites W2044762396 @default.
- W2943120169 cites W2046698975 @default.
- W2943120169 cites W2048996867 @default.
- W2943120169 cites W2049632265 @default.
- W2943120169 cites W2050273205 @default.
- W2943120169 cites W2051210555 @default.
- W2943120169 cites W2052907531 @default.
- W2943120169 cites W2058206198 @default.
- W2943120169 cites W2058812423 @default.
- W2943120169 cites W2060581674 @default.
- W2943120169 cites W2060809301 @default.
- W2943120169 cites W2061342052 @default.
- W2943120169 cites W2061865181 @default.
- W2943120169 cites W2062533676 @default.
- W2943120169 cites W2062907307 @default.
- W2943120169 cites W2065283382 @default.
- W2943120169 cites W2066638035 @default.
- W2943120169 cites W2068037031 @default.
- W2943120169 cites W2077341368 @default.
- W2943120169 cites W2078142106 @default.
- W2943120169 cites W2082667898 @default.
- W2943120169 cites W2085231456 @default.
- W2943120169 cites W2086661402 @default.
- W2943120169 cites W2087512675 @default.
- W2943120169 cites W2088789509 @default.
- W2943120169 cites W2089085945 @default.