VLife Sciences Technologies Pvt. Ltd.

www.vlifesciences.com
Pune, India
SEARCH FILTERS
Time filter
Source Type

Abdullahi A.D.,International Islamic University Malaysia | Abdualkader A.M.,International Islamic University Malaysia | Abdualkader A.M.,University of Aleppo | Abdulsamat N.B.,International Islamic University Malaysia | Ingale K.,VLife Sciences Technologies Pvt. Ltd.
Tropical Journal of Pharmaceutical Research | Year: 2015

Purpose: To identify the structural requirements for designing a lead key for insulin-like growth factor (IGF-1R) inhibition using group-based quantitative structure activity relationship (GQSAR) and molecular docking. Methods: GQSAR method requires fragmentation of molecules. The molecules in the current dataset were fragmented into three (R1, R2 and R3) by applying common fragmentation pattern, and fragment-based 2D descriptors were then calculated. GQSAR models were derived by applying various methods including multiple linear regressions and partial least square or k-nearest neighbor. Results: Four generated GQSAR models were selected based on the statistical significance of the model. It was found that the presence of flexible and non-aromatic groups on fragment R1 was conducive for inhibition. Additionally, the existence of amino groups as hydrogen bond donors at fragments R2 and R3 was fruitful for inhibition. Docking studies revealed the binding orientation adopted by the active compounds at several amino acid residues, including Met 1126, Arg, 1128, Met 1052, GLU 1050, Met 1112, Leu 1051, Met 1049, Val 1033, and Val 983 at ATP binding sites of IGF-1R kinase domain. Conclusion: The generated models provide a site-specific insight into the structural requirements for IGF-1R inhibition which can be used to design and develop potent inhibitors. © Pharmacotherapy Group, Faculty of Pharmacy, University of Benin, Benin City, 300001 Nigeria. All rights reserved.


Ramteke M.P.,Advanced Center for Treatment | Shelke P.,Advanced Center for Treatment | Ramamoorthy V.,Advanced Center for Treatment | Somavarapu A.K.,Advanced Center for Treatment | And 5 more authors.
FEBS Letters | Year: 2014

14-3-3 Proteins bind phosphorylated sequences in proteins and regulate multiple cellular functions. For the first time, we show that pure recombinant human 14-3-3 ζ, γ, ε and τ isofoms hydrolyze ATP with similar Km and kcat values. In sharp contrast the sigma isoform has no detectable activity. Docking studies identify two putative binding pockets in 14-3-3 zeta. Mutation of D124A in the amphipathic pocket enhances binding affinity and catalysis. Mutation of a critical Arg (R55A) at the dimer interface in zeta reduces binding and decreases catalysis. These experimental results coincide with a binding pose at the dimer interface. This newly identified function could be a moon lighting function in some of these isoforms. © 2013 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.


PubMed | VLife Sciences Technologies Pvt. Ltd. and Advanced Center for Treatment
Type: Journal Article | Journal: FEBS letters | Year: 2013

14-3-3 Proteins bind phosphorylated sequences in proteins and regulate multiple cellular functions. For the first time, we show that pure recombinant human 14-3-3 , , and isofoms hydrolyze ATP with similar Km and kcat values. In sharp contrast the sigma isoform has no detectable activity. Docking studies identify two putative binding pockets in 14-3-3 zeta. Mutation of D124A in the amphipathic pocket enhances binding affinity and catalysis. Mutation of a critical Arg (R55A) at the dimer interface in zeta reduces binding and decreases catalysis. These experimental results coincide with a binding pose at the dimer interface. This newly identified function could be a moon lighting function in some of these isoforms.


Lahiri R.,Indian Institute of Technology Kanpur | Suman Reddy Y.,Indian Institute of Technology Kanpur | Kulkarni S.A.,VLife Sciences Technologies Pvt. Ltd. | Vankar Y.D.,Indian Institute of Technology Kanpur
RSC Advances | Year: 2013

Novel biologically important mono- and bicyclic iminosugars have been synthesized from commercially available sugars following high yielding and short synthetic sequences. These unnatural N-heterocycles have been further tested against several glycosidases and some of them showed good inhibition of the enzymes with moderate selectivity. © 2013 The Royal Society of Chemistry.


Lahiri R.,Indian Institute of Technology Kanpur | Palanivel A.,Indian Institute of Technology Kanpur | Kulkarni S.A.,VLife Sciences Technologies Pvt. Ltd. | Vankar Y.D.,Indian Institute of Technology Kanpur
Journal of Organic Chemistry | Year: 2014

Highly regioselective 1,3-dipolar cycloadditions between d-arabinose-derived nitrones and d-mannitol-derived trans-olefins have been utilized to synthesize isofagomine-pyrrolidine hybrid sugars, hydroxymethylated analogues of (-)-steviamine and analogues of (+)-hyacinthacine C5. All of the new compounds were subsequently tested against several commercially available glycosidases, and some of them showed good and selective glycosidase inhibition. © 2014 American Chemical Society.


Ajmani S.,NovaLead Pharma Pvt. Ltd. | Ajmani S.,Jubilant Biosys Ltd. 96 | Kulkarni S.A.,NovaLead Pharma Pvt. Ltd. | Kulkarni S.A.,VLife Sciences Technologies Pvt. Ltd.
Molecular Informatics | Year: 2012

Many literature reports suggest that drugs against multiple targets may overcome many limitations of single targets and achieve a more effective and safer control of the disease. However, design of multitarget drugs presents a great challenge. The present study demonstrates application of a novel Group based QSAR (GQSAR) method to assist in lead optimization of multikinase (PDGFR-beta, FGFR-1 and SRC) and scaffold hopping of multiserotonin target (serotonin receptor 1A and serotonin transporter) inhibitors. For GQSAR analysis, a wide variety of structurally diverse multikinase inhibitors (225 molecules) and multiserotonin target inhibitors (162 molecules) were collected from various literature reports. Each molecule in the data set was divided into four fragments (kinase inhibitors) and three fragments (serotonin target inhibitors) and their corresponding two-dimensional fragment descriptors were calculated. The multiresponse regression GQSAR models were developed for both the datasets. The developed GQSAR models were found to be useful for scaffold hopping and lead optimization of multitarget inhibitors. In addition, the developed GQSAR models provide important fragment based features that can form the building blocks to guide combinatorial library design in the search for optimally potent multitarget inhibitors. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.


Patent
VLife Sciences Technologies Pvt. Ltd. | Date: 2010-07-28

Provided are compounds which are indole derivatives, as well as pharmaceutical compositions containing the compounds. Also provided are methods of using the indole compounds for preventing or treating a disease, or a condition that predisposes to a disease, wherein the disease or condition is associated with activation of the serine/threonine kinase B (Akt) in an animal. The method comprises administering to the animal a preventive or treatment effective amount of the indole compound. Further provided is a method for increasing apoptosis of an animal cell comprising contacting the cell with the indole compound.


Patent
VLife Sciences Technologies Pvt. Ltd. | Date: 2010-09-21

This invention relates to a new topical gel formulation of the drug Esmolol hydrochloride for treatment of chronic wounds such as diabetic wounds, burn wounds, venous ulcers and pressure ulcers.


Patent
VLife Sciences Technologies Pvt. Ltd. | Date: 2012-04-25

A method for treating diabetic complications by administration of a beta-blocker is disclosed. Diabetic complications arise from diabetes and have few or no existing treatment options. The present invention describes the use of a beta-blocker in the treatment of a diabetic. The present invention also describes the inhibition of aldose reductase, one of the chief causative factors of diabetic complications. Also provided are methods of diabetic wound healing. Compositions for treating diabetic complications, such as diabetic wounds, are disclosed. The present invention includes employing a topical formulation of a beta-blocker, having substantially no antibacterial activity, to improve the process of diabetic wound healing. The present invention also involves increasing the rate of collagen accumulation of the healing epithelialized tissue in the wound of a diabetic individual.


Loading VLife Sciences Technologies Pvt. Ltd. collaborators
Loading VLife Sciences Technologies Pvt. Ltd. collaborators