Monthly Archives: December 2015

New paper in JCC – drug delivery agents


Today, on the last day of 2015, we have received great news that our latest paper regarding thr study of calixarenes as drug delivery agents has been published in the Journal of computational chemistry (10.1002/jcc.24281)  

This work represents the continuation of our previous paper published last year in JCTC regarding the use of delivery agents for drugs used in the treatment of chronic myeloid leukemia; this time, two drugs were studied simultaneosly -sorafenib and bosutinib- increasing the chemical space by two. Once again the methodology for designing a suitable carrier employed a mixture of quantum mechanical calculations -in order to get that interaction energy between hosts and guests- and molecular dynamics simulations (1 microsecond) to assess the release of both drugs into thr aqueous media. 

I want to thank my co-authors for all the hard work invested in this publication: Mr. Luis Enrique Afuilar Who is currently getting a masters degree in the Netherlands, and Dr. Rodrigo Galindo from Utah University white whom a fruitful cooperation has evolved for good. 

I’d also like to take this opportunity to thank all the readers of this blog for their ongoing support throughout this year and to wish them all a successful and happy new year! 

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