Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry and Computational Chemistry

Abstract

QSAR Studies on Keto Sulfones Derivatives as Inhibitors of 11β- Hydroxysteroid Dehydrogenase Type 1

Author(s): Shashank Trivedi, Prakash C. Patidar, Pradeep K. Chaurasiya, Rajesh S. Pawar, Umesh K. Patil, Pradeep K. Singour

Metabolic disorders, such as obesity and type 2 diabetes, have assumed epidemic proportions and present major challenges for healthcare systems. The keto sulfones derivatives were discovered as potent and selective 11β-HSD1 inhibitors. The studies show that these compounds are not active against 11β-HSD2 and thus easily surpass the side effects of inhibition of 11β- HSD2 such as sodium retention, hypokalemia and hypertension. So here we have tried to explore the series of β- keto sulfones derivatives, to develop novel, selective and potent orally active compounds through QSAR analysis. The QSAR study carried out on 23 keto sulfones derivatives as inhibitors of 11β-HSD. Molecular modeling studies were performed using chemoffice 6.0 supplied by cambridgesoft. The sketched structures were subjected to energy minimization & the lowest energy structure was used to calculate the physiochemical properties. The regression analysis was carried out using a computer program called SYSTAT 10.2. The best models were selected from the various statistically significant equations. The study revealed that the LUMO, Dipole-dipole energy, NVDW contributed positively, and Heat of formation contributed negatively. The analysis resulted in 2-D equation, which suggests that, n=16, r=0.953, r2=0.909, Standard error of estimate(s)=0.342 & validated r2(q2) =0.7135. This study can help in rational drug design and synthesis of new selective 11β-HSD1 with predetermined affinity.


FIND ARTICLES
SCImago Journal & Country Rank
kız uzun zamandır masaj salonunda çalışıyor çok sulanan erkek oluyor ama porno izle bir türlü hiç birine vermiyor Ama sonunda genç paraya sıkışıyor ve bir porno resimleri sikiş için çok para teklif eden genç adama sonunda kabul ediyor ve evlerine giren amatör pornolar maskeli hırsız genç kadının odasındaki çekmecelerde para ararken kadının seksi iç sikiş çamaşırlarına denk geliyor Onları koklayarak yarağı taş gibi oluyor daha sonra genç porno fotoğrafları kadın odaya bir den bire girince hırsızı görüyor ve bağırmaya başlıyor Hırsız hızlıca porno hikayeleri kızın ağzını elleri ile kapatarak tam kızın kalçalarını kucağına alarak sevişiyor
ankara escort
mobile bitcoin casino
Casumo no deposit bonus bitcoin nedir?