J. Ashok Kumar

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Molecular modeling and pharmacophore study has been performed on a series of 2-Substituted-1-naphthols derivatives with potent 5-lipoxygenase inhibitory activity. Structural features responsible for the activity of the compounds were characterized by using physicochemical, topological, and electrotopological descriptors, calculated from the Molecular Design(More)
Type II collagen (CII) is a cartilage structural protein that plays important roles in joint function, arthritis and ageing. In studying the ability of CII to induce eye-mediated specific immune tolerance, we have recently proven that CII is capable of inducing anterior chamber-associated immune deviation (ACAID) in Balb/c mice. Here, we study the ability(More)
Quantitative structure–activity relationship (QSAR) and Pharmacophore studies were performed on a series of 35 azaaurones derivatives to find out the structural requirements of their antimalarial activities. The compounds in the selected series were characterized by spatial, molecular and electrotopological descriptors using QSAR module of molecular design(More)
To elucidate the structural properties required for anti-tumor activity, four different molecular modeling techniques; two-dimensional (2D-QSAR), group-based QSAR (G-QSAR), 3D-QSAR, and pharmacophore identification studies have been carried out on a series of substituted 2-[2′-(dimethylamino) ethyl]-1, 2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones(More)
A QSAR analyses of 32 aminomethyl and acylaminomethyl substituents derivatives were carried out to interpret the relationship between structural properties and angiotensin II AT1 receptor activity. Two-dimensional (2D-QSAR), Group-based (G-QSAR), 3D-QSAR, and pharmacophore mapping studies were performed using partial least square and k-nearest neighbor(More)
A novel substituted oxa/thiadiazolylazetidinonyl/thiazolidinonylcarbazoles (4a-j), (5a-j) and (6a-j) were synthesized and screened for their antipsychotic and anticonvulsant activities. It is concluded from the results compound 6j showed promising antipsychotic as well as anticonvulsant activity.
INTRODUCTION Lysosomal cathepsins have been reported to contribute to Osteoarthritis (OA) pathophysiology due to their increase in pro-inflammatory conditions. Given the causal role of cathepsins in OA, monitoring their specific activity could provide means for assessing OA severity. To this end, we herein sought to assess a cathepsin activity-based probe(More)
BACKGROUND Tears of the medial meniscus posterior root can lead to progressive arthritis, and its management has no consensus. The aim of our study was to evaluate the effect of supervised exercise therapy on patients with medial meniscus posterior root tears. MATERIALS AND METHODS Between January 2005 and May 2007, 37 patients with this tear verified by(More)
This article describes the development of a robust two-dimensional (2D), Group-based quantitative structure–activity relationship (G-QSAR), k-nearest neighbor (kNN), and pharmacophore models and the investigation of SAR analysis of 42 triazolinone derivatives reported for angiotensin II (Ang II) AT1 receptor antagonists using VLife MDS software. Comparing(More)
Present communication elicits the designing and synthesis of 3-(1,3-benzothiazol-2-yl) 2-phenyl quinazolin-4(3H)-ones as potential antibacterial agents. A number of substituted 2-amino benzothiazoles, 2-amino-5-[(E)-phenyl diazenyl] benzoic acid, and 2-phenyl-4H benzo[d] [1,3] oxazin-4-one were synthesized as the precursor substrates. The compounds were(More)