Supriyo Saha, Vimal Constance, LuvKush, Versha Percha
Sardar Bhagwan Singh Post Graduate Institute of Biomedical Sciences and Research, Balawala, Dehradun, India.
Keywords: Corticosteroid binding globulin receptor, PADEL, Stepwise regression, FA-MLR, Golbraikh and Tropsha acceptable model, Euclidean and Mahalanobis Distance.

Quantative Structure Activity Relationship analysis was performed using 30 various steroidal moieties with their IC50 value. The QSAR model was pIC50 = -0.01499 (+/-0.00582) +0.02256 (+/-0.00794) GATS5e -0.02574 (+/-0.00344) RDF120v -0.61334 (+/-0.00342) Ds with statistical information: SEE: 0.00581, r^2: 0.99977r^2 adjusted: 0.99973, F: 24389.67031 (DF: 3, 17). This model proposes that by expanding the Sanderson electro negativities and by diminishing the Radial dispersion capacity - 120/ weighted by relative van der Waals volumes and aggregate availability record/ weighted by relative I-state esteem it make a positive reaction. The outcomes from Golbraikh and Tropsha acceptable model was diagrammatized at Table: 6 which represent that Q^2: 0.99928, r^2: 0.99979, |r0^2-r'0^2|:0.0, k: 0.97936, [(r^2-r0^2)/r^2]:0.00004, k': 1.02084, [(r^2-'0^2)/r^2]: 0.00004 which also shown that the predictability of the model is quite high. Applicability domain was identified by Euclidean and Mahalanobis Distance Method. All the points were merely overlapped with observed and predicted IC50 value. So this developed QSAR model may work as a navigator for the prediction of newer generation steroidal molecule active through corticosteroid binding globulin receptor pathway.

Article Information

Identifiers and Pagination:
First Page:194
Last Page:206
Publisher Id:19204159.7:2.2015
Article History:
Received:September 20,2015
Accepted:September 27, 2015
Collection year:2015
First Published:October 1, 2015

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Editor in Chief
Prof. Dr. Cornelia M. Keck (Philipps-Universität Marburg)
Marburg, Germany


Welcome to the research group of Prof. Dr. Cornelia M. Keck in Marburg. Cornelia M. Keck is a pharmacist and obtained her PhD in 2006 from the Freie Universität (FU) in Berlin. In 2009 she was appointed as Adjunct Professor for Pharmaceutical and Nutritional Nanotechnology at the University Putra Malaysia (UPM) and in 2011 she obtained her Venia legendi (Habilitation) at the Freie Universität Berlin and was appointed as a Professor for Pharmacology and Pharmaceutics at the University of Applied Sciences Kaiserslautern. Since 2016 she is Professor of Pharmaceutics and Biopharmaceutics at the Philipps-Universität Marburg. Her field of research is the development and characterization of innovative nanocarriers for improved delivery of poorly soluble actives for healthcare and cosmetics. Prof. Keck is executive board member of the German Association of Nanotechnology (Deutscher Verband Nanotechnologie), Vize-chairman of the unit „Dermocosmetics“ at the German Society of Dermopharmacy, active member in many pharmaceutical societies and member of the BfR Committee for Cosmetics at the Federal Institute for Risk Assessment (BfR).

Journal Highlights
Abbreviation: J App Pharm
doi: http://dx.doi.org/10.21065/19204159
Frequency: Annual 
Current Volume: 9 (2017)
Next scheduled volume: December, 2018 (Volume 10)
Back volumes: 1-9
Starting year: 2009
Nature: Online 
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Language: English

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