QSAR MODELING OF GELATINASE INHIBITORS: MLR APPROACH
Journal Title: International Research Journal of Pharmacy (IRJP) - Year 2012, Vol 3, Issue 3
Abstract
Matrix metalloproteinases are regulated by growth factors, hormones, cytokines etc. and endogenous inhibitors control them. Over expression of matrix metalloproteinases can lead to a variety of pathological disorders which results because of imbalance between the activity of matrix metalloproteinase inhibitors and tissue inhibitors of matrix metalloproteinase. So, it is the necessity to develop the Phenylalanine analogues with impact inhibitive concentration. Here Phenylalanine analogues have been used to correlate the inhibiting activity with the Eccentric Connectivity index (ECI), Fragment Complexity (FC) and Topological Polar Surface Area (TPSA) for studying the Quantitative Structure Activity Relationship (QSAR). Correlation may be an adequate predictive model which can help to provide guidance in designing and subsequently yielding greatly specific compounds that may have reduced side effects and improved pharmacological activities. We have used Multiple Linear Regression (MLR), one of the best methods for developing the QSAR model. Results from this QSAR study have suggested that ECI, FC and TPSA are the important descriptors for inhibitory activities of endopeptidase inhibitors. For the validation of the developed QSAR model, statistical analysis such as data point-descriptor ratio, fraction of variance, cross validation test, standard deviation, quality factor, fischers test; and internal validation such as Y-randomization test have been performed and all the tests validated this QSAR model.
Authors and Affiliations
Ajeet , Vipul Kumar , Brajpal Singh
Keywords
Related Articles
- EP ID EP140336
- DOI -
- Views 107
- Downloads 0
NOSE TO BRAIN DELIVERY OF ZIPRASIDONE MICROEMULSION: DESIGEN AND CHARACTERIZATION
Nasal administration offers an interesting promising alternative technique to the parenteral route for achieving systemic drug effects. Now a day many drugs have better systemic bioavailability through nasal route as com...
STUDY ON MINERALS AND TRACE ELEMENTS STATUS IN DIFFERENT AGE GROUP OF GERIATRIC CASES
Geriatric persons are at higher risk of falling in to illness or the tendency to catch illness due to number of reasons such as malnutrition and under nutrition. The present study evaluated the minerals and trace elemen...
THROMBOLYTIC AND MEMBRANE STABILIZING PROPERTIES OF METHANOLIC EXTRACTS OF AVICENNIA MARINA LEAVES & BARKS
The present study was commenced to judge ethnomedicinal worth of the plant. We tried to analyze in vitro thrombolytic and membrane stabilising activities of methanolic extracts of Avicennia marina. Crude methanolic extra...
HIGH PERFORMANCE THIN LAYER CHROMATOGRAPHIC DETERMINATION OF CILNIDIPINE AND TELMISARTAN IN COMBINED TABLET DOSAGE FORM
A new simple high performance thin layer chromatography (HPTLC) method for determination of Cilnidipine and Telmisartan in combined dosage form has been developed and validated. The separation was carried out on Merck al...
CYTOTOXICITY, ANTIMICROBIAL AND NEUROPHARMACOLOGICAL EVALUATION OF ETHANOLIC EXTRACT OF PISTIA STRATIOTES L.
In phytochemical screening of the ethanolic extract of Pistia stratiotes L. aerial part anthraquinone glycosides, cardiac glycosides, cyanogenetic glycosides, flavonoids, steroids, tannins, carbohydrates were found to be...