User profiles for Palani Kirubakaran

Kirubakaran Palani

Postdoctoral Associate, Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia …
Verified email at fccc.edu
Cited by 483

Rationalizing PROTAC-mediated ternary complex formation using Rosetta

…, GV Andrianov, M Yates, P Kirubakaran… - Journal of chemical …, 2021 - ACS Publications
Proteolysis-targeting chimaeras (PROTACs) are molecules that combine a target-binding
warhead with an E3 ligase-recruiting moiety; by drawing the target protein into a ternary …

Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease

KD Singh, P Kirubakaran, S Nagarajan… - Journal of molecular …, 2012 - Springer
To date, no suitable vaccine or specific antiviral drug is available to treat Chikungunya viral (CHIKV)
fever. Hence, it is essential to identify drug candidates that could potentially impede …

[HTML][HTML] Exquisite ligand stereoselectivity of a Drosophila juvenile hormone receptor contrasts with its broad agonist repertoire

…, P Jedlicka, M Dracinsky, P Kirubakaran… - Journal of Biological …, 2019 - ASBMB
The sesquiterpenoid juvenile hormone (JH) is vital to insect development and reproduction.
Intracellular JH receptors have recently been established as basic helix-loop-helix …

Pharmacophore filtering and 3D-QSAR in the discovery of new JAK2 inhibitors

KD Singh, M Karthikeyan, P Kirubakaran… - Journal of Molecular …, 2011 - Elsevier
Janus kinase 2 (JAK2) plays a crucial role in the patho-mechanism of cardiovascular
pathologies, myeloproliferative disorders and many other diseases. Thus, effective JAK2 kinase …

Sighting of tankyrase inhibitors by structure-and ligand-based screening and in vitro approach

P Kirubakaran, P Arunkumar, K Premkumar… - Molecular …, 2014 - pubs.rsc.org
Tankyrase 1 and 2 (TNKS) are promising and attractive therapeutic targets in anticancer
drug development. Herein, we report the findings of structure- and ligand-based virtual …

Molecular insights on TNKS1/TNKS2 and inhibitor-IWR1 interactions

P Kirubakaran, G Kothandan, SJ Cho… - Molecular …, 2014 - pubs.rsc.org
Tankyrases (TNKS) belong to the poly(ADP-ribose)polymerase (PARP) protein super family
and play a vital role in the Wnt/β-catenin signaling pathway. TNKS is a potential target for …

In silico structural and functional analysis of the human TOPK protein by structure modeling and molecular dynamics studies

P Kirubakaran, M Karthikeyan, KD Singh… - Journal of molecular …, 2013 - Springer
Over expression of T-lymphokine–activated killer cell–originated protein kinase (TOPK) has
been associated with leukemia, myeloma tumors and various other cancers. The function …

Substituents at the C3′ and C3′ N positions are critical for taxanes to overcome acquired resistance of cancer cells to paclitaxel

…, P Daniel, V Němcová-Fürstová, P Kirubakaran… - Toxicology and applied …, 2018 - Elsevier
We tested the role of substituents at the C3′ and C3′N positions of the taxane molecule
to identify taxane derivatives capable of overcoming acquired resistance to paclitaxel. …

[HTML][HTML] In silico studies on marine actinomycetes as potential inhibitors for Glioblastoma multiforme

P Kirubakaran, R Kothapalli, KD Singh… - …, 2011 - ncbi.nlm.nih.gov
Glioblastoma multiforme (GBM) is considered to be the most common and often deadly
disorder which affects the brain. It is caused by the over expression of proteins such as ephrin …

Pharmacophore modeling, 3D-QSAR and DFT studies of IWR small-molecule inhibitors of Wnt response

P Kirubakaran, M Karthikeyan - Journal of Receptors and Signal …, 2013 - Taylor & Francis
In this study, a 5-point pharmacophore model was developed and the model was used to
generate a predictive atom-based 3D quantitative structure activity relationship (3D-QSAR) …