Application of active compounds in killing schistosoma japonicum
A compound, schistosomiasis technology, applied in the direction of drug combination, organic active ingredients, anti-infective drugs, etc., can solve the problem that there is no ideal second-line candidate drug report and so on
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Embodiment 1
[0068] SjANT Molecular Simulation and Virtual Screening
[0069] Using the SjANT protein sequence (UniProt AC: Q5DFR4) as the query sequence, the PDB protein library was searched with BLASTP. According to the degree of homology and the nature of the protein, ADT1_BOVIN (PDBID is 10KC) was selected as the template for structural modeling. The sequence identity between the target protein and the template protein is 53%, indicating that the modeling has great reliability.
[0070] First use the multiple alignment method in the InsightII (Version 2000) / Homology module to perform sequence alignment, and then obtain a reasonable sequence alignment through manual adjustment ( figure 1 ), on the basis of the alignment, the modules in InsightII / Homology are used to construct the structure.
[0071] For the obtained structure, PROCHECK is used to evaluate, mainly to evaluate whether the bond length, bond angle and dihedral angle are reasonable, and the results are based on the Ramacha...
Embodiment 2
[0082] In Vitro Screening of Active Compounds Against Schistosoma japonicum
[0083] Experimental materials and methods
[0084] 1. Parasites
[0085] Schistosoma japonicum cercariae (Anhui strain) were purchased from China CDC Parasitic Disease Prevention and Control Center
[0086] 2. Host
[0087] Kunming rats, weighing between 18-22 g, were purchased from Shanghai Animal Center.
[0088] 3. Inoculation of animals and collection of worms
[0089] Vaccination: by the method of abdominal infection. The mice were fixed on a wooden board with rubber bands, and then their abdominal hair was shaved with an elevator knife. Each mouse was infected with 80-100 cercariae.
[0090] Insect collection: Mice infected with cercariae for 32-38 days were sacrificed by cutting the carotid artery and exsanguinating blood, and then perfused through the thoracic aorta with ice-cold saline plus heparin to collect adult worms.
[0091] 4. Drug configuration
[0092] Samples of the tested ...
Embodiment 3
[0109] In Vitro Screening of Active Compounds Against Schistosoma japonicum
[0110] The experiment of Example 2 was repeated with compounds of formula V, VI, VII, VIII, IX, X, XI, XII and XIII with similar results.
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