Back close

Refining the National List of Essential Medicines 2011: Accurate Prediction of Lipophilicity, Determination of Aqueous Solubility and Assessment of Molecular Complexity

Publisher : International Journal of Drug Design and Discovery

Campus : Kochi

School : School of Pharmacy

Department : Pharmaceutical Chemistry & Analysis

Verified : Yes

Year : 2014

Abstract : National List of Essential Medicines (NLEM) 2011 is a very important document in the Indian healthcare scenario. Currently in its third instalment, the list has undergone a systematic evolution keeping in mind the present medical needs of the average Indian. While it has grown to be clinically relevant, NLEM has not been able to gain popularity within the medicinal chemistry community. In the work presented herein, this list is viewed as an educational tool and therefore attempts made to augment its value as well as utility to the various stakeholders, particularly those within the pharmacy profession. Pharmaceutically handy physicochemical properties including partition coefficient and aqueous solubility have been computed for the small molecule subset within the NLEM. Besides this enrichment of the list per se, the work has resulted in attaining a workable solution for the dilemma faced by practising medicinal chemists on a regular basis with respect to picking and choosing an optimal software package for computation of lipophilicity.

Admissions Apply Now