An In Silico Approach towards the Prediction of Druglikeness Properties of Inhibitors of Plasminogen Activator Inhibitor1
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 a...
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description | 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. |
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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.</description><identifier>ISSN: 1687-8027</identifier><identifier>EISSN: 1687-8035</identifier><identifier>DOI: 10.1155/2014/385418</identifier><identifier>PMID: 25580120</identifier><language>eng</language><publisher>Egypt: Hindawi Limiteds</publisher><subject>Neovascularization</subject><ispartof>Advances in Bioinformatics, 2014-01, Vol.2014 (2014), p.c1-6</ispartof><rights>Copyright © 2014 Umadevi Subramanian et al.</rights><rights>COPYRIGHT 2014 John Wiley & Sons, Inc.</rights><rights>Copyright © 2014 Umadevi Subramanian et al. Umadevi Subramanian et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.</rights><rights>Copyright © 2014 Umadevi Subramanian et al. 2014</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a4188-1d01f020ec0b2b39dced5ad9b354b712210a40c3380433d664fd1b8ec81a553</citedby><cites>FETCH-LOGICAL-a4188-1d01f020ec0b2b39dced5ad9b354b712210a40c3380433d664fd1b8ec81a553</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC4279271/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC4279271/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,885,27924,27925,53791,53793</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/25580120$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><contributor>Hamodrakas, Stavros J.</contributor><creatorcontrib>Subramanian, Umadevi</creatorcontrib><creatorcontrib>Sivapunniyam, Ashok</creatorcontrib><creatorcontrib>Pudukadu Munusamy, Ayyasamy</creatorcontrib><creatorcontrib>Sundaram, Rajakumar</creatorcontrib><title>An In Silico Approach towards the Prediction of Druglikeness Properties of Inhibitors of Plasminogen Activator Inhibitor1</title><title>Advances in Bioinformatics</title><addtitle>Adv Bioinformatics</addtitle><description>Diabetic retinopathy is the leading cause of blindness worldwide. 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title | An In Silico Approach towards the Prediction of Druglikeness Properties of Inhibitors of Plasminogen Activator Inhibitor1 |
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