PMID- 18221308
OWN - NLM
STAT- MEDLINE
DCOM- 20080501
LR  - 20080206
IS  - 1747-0285 (Electronic)
IS  - 1747-0277 (Linking)
VI  - 71
IP  - 3
DP  - 2008 Mar
TI  - Comparative QSAR study on para-substituted aromatic sulphonamides as CAII 
      inhibitors: information versus topological (distance-based and connectivity) 
      indices.
PG  - 244-59
LID - 10.1111/j.1747-0285.2007.00625.x [doi]
AB  - Comparative quantitative structure-activity relationship studies on 
      para-substituted aromatic sulphonamides carbonic anhydrase II (CAII) inhibitors 
      are reported in this paper. The study is made utilizing (i) information indices 
      along; (ii) distance-based and connectivity indices and (iii) combination of 
      information, distance-based and connectivity type topological indices. The study 
      has shown that distance-based and connectivity type indices are superior for 
      modelling, monitoring and estimating CAII inhibition. The results are critically 
      discussed using a variety of statistical parameters. Our results show that 
      starting from the mono-parametric regression itself, our results are superior: 
      Furthermore, our methodology allowed carrying out much higher-parametric 
      regressions, yielding a nine-parametric model with R2 as high as 0.8375. The 
      eight-parametric regression, gave R2= 0.8343. As there is not much difference, we 
      have considered the eight-parametric regression the best.
FAU - Singh, Jyoti
AU  - Singh J
AD  - QSAR and Computer Chemical Laboratories, A.P.S. University, Rewa-486 003, India.
FAU - Shaik, Basheerulla
AU  - Shaik B
FAU - Singh, Shalini
AU  - Singh S
FAU - Agrawal, Vijay K
AU  - Agrawal VK
FAU - Khadikar, Padmakar V
AU  - Khadikar PV
FAU - Deeb, Omar
AU  - Deeb O
FAU - Supuran, Claudiu T
AU  - Supuran CT
LA  - eng
PT  - Comparative Study
PT  - Journal Article
DEP - 20080119
PL  - England
TA  - Chem Biol Drug Des
JT  - Chemical biology & drug design
JID - 101262549
RN  - 0 (Carbonic Anhydrase Inhibitors)
RN  - 0 (Sulfonamides)
SB  - IM
MH  - Carbonic Anhydrase Inhibitors/*chemistry/*pharmacology
MH  - Models, Theoretical
MH  - Quantitative Structure-Activity Relationship
MH  - Sulfonamides/*chemistry/*pharmacology
EDAT- 2008/01/29 09:00
MHDA- 2008/05/02 09:00
CRDT- 2008/01/29 09:00
PHST- 2008/01/29 09:00 [pubmed]
PHST- 2008/05/02 09:00 [medline]
PHST- 2008/01/29 09:00 [entrez]
AID - JPP625 [pii]
AID - 10.1111/j.1747-0285.2007.00625.x [doi]
PST - ppublish
SO  - Chem Biol Drug Des. 2008 Mar;71(3):244-59. doi: 10.1111/j.1747-0285.2007.00625.x. 
      Epub 2008 Jan 19.