Author: Kaifu Gao; Duc Duy Nguyen; Rui Wang; Guo-Wei Wei
Title: Machine intelligence design of 2019-nCoV drugs Document date: 2020_2_4
ID: 1qniriu0_20
Snippet: The 2019-nCoV protease (PDB ID 6lu7) and SARS-CoV 3CL protease (PDB ID: 2gx4) have an excellent similarity. As shown in Fig. 2 , two crystal structures are essentially identical to each other. Particularly, the RMSD of two crystal structures at the binding site is 0.53 Ã…. When we try to carry a homology modeling of 2019-nCoV protease structure from its sequence using SARS-CoV 3CL protease (PDB ID: 2gx4) as a model, the resulting 2019-nCoV protea.....
Document: The 2019-nCoV protease (PDB ID 6lu7) and SARS-CoV 3CL protease (PDB ID: 2gx4) have an excellent similarity. As shown in Fig. 2 , two crystal structures are essentially identical to each other. Particularly, the RMSD of two crystal structures at the binding site is 0.53 Ã…. When we try to carry a homology modeling of 2019-nCoV protease structure from its sequence using SARS-CoV 3CL protease (PDB ID: 2gx4) as a model, the resulting 2019-nCoV protease homology structure has an RMSD of 0.9 Ã… (or 0.2 Ã… at the binding site region) with its crystal structure 6lu7. The high structural similarity between the two proteases suggests that anti-SARS-CoV chemicals can be equally effective for the treatment of 2019-nCoV.
Search related documents:
Co phrase search for related documents- high protease structural similarity and protease structure: 1
- high protease structural similarity and structural similarity: 1
- homology modeling and protease homology: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11
- homology modeling and protease homology structure: 1, 2
- homology modeling and protease structure: 1, 2, 3
- homology modeling and protease structure homology modeling: 1, 2
- homology modeling and SARS cov: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76
- homology modeling and structural similarity: 1, 2, 3, 4
- protease homology and SARS cov: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15
- protease homology and structural similarity: 1
- protease homology structure and SARS cov: 1, 2, 3, 4, 5
- protease homology structure and structural similarity: 1
- protease structural similarity and SARS cov: 1, 2, 3, 4
- protease structural similarity and structural similarity: 1, 2, 3, 4, 5, 6, 7
- protease structure and SARS cov: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73
- protease structure and structural similarity: 1, 2, 3
- protease structure homology modeling and SARS cov: 1, 2
- protease structure homology modeling and structural similarity: 1
- SARS cov and structural similarity: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67
Co phrase search for related documents, hyperlinks ordered by date