An In Silico Approach towards the Prediction of Druglikeness Properties of Inhibitors of Plasminogen Activator Inhibitor1.

Autor: Subramanian U; Department of Marine Biotechnology, Bharathidasan University, Tiruchirappalli, Tamil Nadu 620 024, India., Sivapunniyam A; Department of Marine Biotechnology, Bharathidasan University, Tiruchirappalli, Tamil Nadu 620 024, India., Pudukadu Munusamy A; Department of Microbiology, Periyar University, Salem, Tamil Nadu 636 011, India., Sundaram R; Department of Marine Biotechnology, Bharathidasan University, Tiruchirappalli, Tamil Nadu 620 024, India.
Jazyk: angličtina
Zdroj: Advances in bioinformatics [Adv Bioinformatics] 2014; Vol. 2014, pp. 385418. Date of Electronic Publication: 2014 Dec 15.
DOI: 10.1155/2014/385418
Abstrakt: Diabetic retinopathy is the leading cause of blindness worldwide. It is caused by the abnormal growth of the retinal blood vessels. Plasminogen activator inhibitor1 (PAI1) is the key growth factor and the inhibition of PAI1 can reduce the angiogenesis. In this study, currently available inhibitors are taken and tested for the toxicity, binding affinity, and bioactivities of the compounds by in silico approach. Five toxic free inhibitors were identified, among which N-acetyl-D-glucosamine shows the significant binding affinity and two of the molecules are having the better bioactivity properties. The molecular optimization of 2-(acetylamino)-2-deoxy-A-D-glucopyranose and alpha-L-fucose can be used for the treatment of diabetic retinopathy.
Databáze: MEDLINE
Externí odkaz: