Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors Based on 3D-QSAR Analysis Using CoMFA, CoMSIA, and SOMFA
Publication type: Journal Article
Publication date: 2020-05-01
scimago Q4
wos Q3
SJR: 0.267
CiteScore: 1.9
Impact factor: 1.7
ISSN: 10681620, 1608330X, 15739163
Organic Chemistry
Biochemistry
Abstract
—In this study, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA), and the self-organizing molecular field analysis (SOMFA) were performed on a series of novel adenosine derivatives. Significant correlation coefficients (CoMFA, q2 = 0.560, r2 = 0.940, F value = 71.850, and SEE = 0.097; CoMSIA, q2 = 0.528, r2 = 0.943, F value = 29.29 and SEE = 0.108; SOMFA, r2 = 0.615, $$r_{{{\text{cv}}}}^{{\text{2}}}$$ = 0.577, F value = 60.797, and SEE = 0.226) were obtained, and the generated models were validated using test sets. By analyzing the corresponding contour maps in detail, new adenosine derivatives with potential efficacy were designed for synthesis in the future.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1
2
|
|
|
Letters in Drug Design and Discovery
2 publications, 66.67%
|
|
|
Chemistry Africa
1 publication, 33.33%
|
|
|
1
2
|
Publishers
|
1
2
|
|
|
Elsevier
2 publications, 66.67%
|
|
|
Springer Nature
1 publication, 33.33%
|
|
|
1
2
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
3
Total citations:
3
Citations from 2025:
1
(33.33%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Shunlai Li et al. Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors Based on 3D-QSAR Analysis Using CoMFA, CoMSIA, and SOMFA // Russian Journal of Bioorganic Chemistry. 2020. Vol. 46. No. 3. pp. 448-457.
GOST all authors (up to 50)
Copy
Shunlai Li, Bao X., Lu C., Ren C., Liu G., Du H. Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors Based on 3D-QSAR Analysis Using CoMFA, CoMSIA, and SOMFA // Russian Journal of Bioorganic Chemistry. 2020. Vol. 46. No. 3. pp. 448-457.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1134/s1068162020030103
UR - https://doi.org/10.1134/s1068162020030103
TI - Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors Based on 3D-QSAR Analysis Using CoMFA, CoMSIA, and SOMFA
T2 - Russian Journal of Bioorganic Chemistry
AU - Shunlai Li
AU - Bao, Xuefeng
AU - Lu, Chenghu
AU - Ren, Chaorui
AU - Liu, Guocheng
AU - Du, Hongguang
PY - 2020
DA - 2020/05/01
PB - Pleiades Publishing
SP - 448-457
IS - 3
VL - 46
SN - 1068-1620
SN - 1608-330X
SN - 1573-9163
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2020_Shunlai Li,
author = {Shunlai Li and Xuefeng Bao and Chenghu Lu and Chaorui Ren and Guocheng Liu and Hongguang Du},
title = {Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors Based on 3D-QSAR Analysis Using CoMFA, CoMSIA, and SOMFA},
journal = {Russian Journal of Bioorganic Chemistry},
year = {2020},
volume = {46},
publisher = {Pleiades Publishing},
month = {may},
url = {https://doi.org/10.1134/s1068162020030103},
number = {3},
pages = {448--457},
doi = {10.1134/s1068162020030103}
}
Cite this
MLA
Copy
Shunlai Li, et al. “Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors Based on 3D-QSAR Analysis Using CoMFA, CoMSIA, and SOMFA.” Russian Journal of Bioorganic Chemistry, vol. 46, no. 3, May. 2020, pp. 448-457. https://doi.org/10.1134/s1068162020030103.