Search citation statements

Order By: Relevance
Select...
1
1
1
1
0
6
0

Year Published

2006
2006
2018
2018

Publication Types

Select...
4

Relationship

0
4

Authors

Journals

0
6
0
Order By: Relevance
“…These findings indicated that the substituents at the phenyl ring, which increased the negative charge at both the C 2 and C 5 positions, were favored, and the thiadiazole nucleus was preferred over the thiazole nucleus for the binding. Another QSAR study for similar thiadiazole and thiazole derivatives based on the CODESSA program was elaborated by Borghini et al The electrostatic descriptors such as hydrogen–acceptor charged surface area, minimum partial charge on a sulfur atom and partial negative surface area, as well as constitutional parameter (e.g. relative number of H atoms) were among the molecular descriptors included in the QSAR study.…”
Section: Molecular Modeling On Ha3ar and Its Ligandsmentioning
Create an account to read the remaining citation statements from this report. You will also get access to:
  • Search over 1.2b+ citation statments to see what is being said about any topic in the research literature
  • Advanced Search to find publications that support or contrast your research
  • Citation reports and visualizations to easily see what publications are saying about each other
  • Browser extension to see Smart Citations wherever you read research
  • Dashboards to evaluate and keep track of groups of publications
  • Alerts to stay on top of citations as they happen
  • Automated reference checks to make sure you are citing reliable research in your manuscripts
  • 14 day free preview of our premium features.

Trusted by researchers and organizations around the world

Over 130,000 students researchers, and industry experts at use scite

See what students are saying

rupbmjkragerfmgwileyiopcupepmcmbcthiemesagefrontiersapsiucrarxivemeralduhksmucshluniversity-of-gavle
“…These findings indicated that the substituents at the phenyl ring, which increased the negative charge at both the C 2 and C 5 positions, were favored, and the thiadiazole nucleus was preferred over the thiazole nucleus for the binding. Another QSAR study for similar thiadiazole and thiazole derivatives based on the CODESSA program was elaborated by Borghini et al The electrostatic descriptors such as hydrogen–acceptor charged surface area, minimum partial charge on a sulfur atom and partial negative surface area, as well as constitutional parameter (e.g. relative number of H atoms) were among the molecular descriptors included in the QSAR study.…”
Section: Molecular Modeling On Ha3ar and Its Ligandsmentioning
“…According to the t test value, the most statistically significant descriptor was the polarity parameter/square distance, D 1 . This was an electrostatic descriptor defined as the maximum positive atomic partial charge minus the minimum negative charge divided by their square distance [ 21 ]. According to the values listed in Table 1 , polarity parameters are only influenced by the number of –COO − and the benzene ring substituent group.…”
Section: Resultsmentioning
“…Another QSAR study for A 1 ARs was reported by Borghini et al, 116 who used a data set of thiazole and thiadiazole antagonist analogues reported in the literature 117,118 and their affinity values were expressed as pK i , generated from the displacement of specific [ 3 H]DPCPX binding in rat brain cortical membranes. 119 The use of CODESSA software led to QSAR equations based on three descriptors for the adenosine A 1 receptor ligands with good statistical parameters.…”
Section: A 3 Adenosine Receptorsmentioning
“…(20)(21)(22) pK i ¼ 4:030 À 3:951ðAE2:415Þq 2 À 2:623ðAE2:136Þq 5 þ 2:441ðAE1:489Þq 7 À 0:275ðAE0:261Þ log P À where q x were the Wang-Ford charges of different atoms (x) of the analogues; I OBu À t is an indicator variable having a value 1 if tert-butyloxy group is present at thr R position, value 0 otherwise; I Me À Et is an indicator variable having value 1 if R ¼ methyl or ethyl, value 0 otherwise and f x represent factors loadings and have the character of correlation coefficients between the common factors and the variables. Another QSAR study for A 3 ARs was reported by Borghini et al, 116 who used a data set of thiazole and thiadiazole antagonist analogues (very similar to those studied by Bhattacharya et al 159 ) reported in the literature 17 and their affinity values were expressed as pK i , generated for displacement of specific where HACA _ 2 means total charge weighted HACA, HACA means hydrogen-acceptor charged surface area, and TMSA means total molecular surface area; RNH is the constitutional descriptor relative number of H atoms; MPCS is the minimum partial charge on a S atom; WNSA _ 3 is the total surface weighted PNSA and PNSA means partial negative surface area. Moreover, the results appear to furnish useful suggestions for the design of new ligands to act as antagonists for the adenosine A 3 receptors and confirm the results previously obtained by Bhattacharya et al 159 The model suggests the importance of small alkyl groups at the position R, since they increase the contribution coefficient of this descriptor RNH more than aromatic rings.…”
mentioning