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Protein kinase C-theta inhibitors: a novel therapy for inflammatory disorders.
Chand S, Mehta N, Bahia MS, Dixit A, Silakari O. Chand S, et al. Among authors: dixit a. Curr Pharm Des. 2012;18(30):4725-46. doi: 10.2174/138161212802651625. Curr Pharm Des. 2012. PMID: 22830352 Review.
PKC-θ is a serine/threonine specific protein kinase and its activation depends upon the concentration of diacylglycerol (DAG) and phospholipids (phosphatidylserine). ...Apart from this role on IL-2 expression, it also plays crucial roles in the proliferation, differentiati …
PKC-θ is a serine/threonine specific protein kinase and its activation depends upon the concentration of diacylglycerol (DAG) and pho …
Structural and computational biology of the molecular chaperone Hsp90: from understanding molecular mechanisms to computer-based inhibitor design.
Verkhivker GM, Dixit A, Morra G, Colombo G. Verkhivker GM, et al. Among authors: dixit a. Curr Top Med Chem. 2009;9(15):1369-85. doi: 10.2174/156802609789895700. Curr Top Med Chem. 2009. PMID: 19860735 Review.
These developments have revealed a critical role of Hsp90 structure, conformational dynamics and interdomain communication in promoting the binding and release of ligands and its interaction with client proteins. ...Structural and computational biology studies can provide …
These developments have revealed a critical role of Hsp90 structure, conformational dynamics and interdomain communication in promoti …
Design of combretastatin A-4 analogs as tubulin targeted vascular disrupting agent with special emphasis on their cis-restricted isomers.
Rajak H, Dewangan PK, Patel V, Jain DK, Singh A, Veerasamy R, Sharma PC, Dixit A. Rajak H, et al. Among authors: dixit a. Curr Pharm Des. 2013;19(10):1923-55. doi: 10.2174/1381612811319100013. Curr Pharm Des. 2013. PMID: 23237054 Review.
Tubulin protein is a highly imperative and feasible goal for anticancer drug discovery. Hundreds of naturally occurring, semi synthetic and synthetic antitubulin agents have been reported till now. Among these, Combretastatin A - 4 (CA - 4) is effective antimitotic …
Tubulin protein is a highly imperative and feasible goal for anticancer drug discovery. Hundreds of naturally occurring, semi synthet …
Integrating ligand-based and protein-centric virtual screening of kinase inhibitors using ensembles of multiple protein kinase genes and conformations.
Dixit A, Verkhivker GM. Dixit A, et al. J Chem Inf Model. 2012 Oct 22;52(10):2501-15. doi: 10.1021/ci3002638. Epub 2012 Oct 1. J Chem Inf Model. 2012. PMID: 22992037
The rapidly growing wealth of structural and functional information about kinase genes and kinase inhibitors that is fueled by a significant therapeutic role of this protein family provides a significant impetus for development of targeted computational screening ap …
The rapidly growing wealth of structural and functional information about kinase genes and kinase inhibitors that is fueled by a sign …
Pharmacophore modelling, virtual screening and molecular docking studies on PLD1 inhibitors.
Behera DK, Behera PM, Acharya L, Dixit A. Behera DK, et al. Among authors: dixit a. SAR QSAR Environ Res. 2017 Dec;28(12):991-1009. doi: 10.1080/1062936X.2017.1393774. Epub 2017 Nov 8. SAR QSAR Environ Res. 2017. PMID: 29113495
The current study reports a three-dimensional pharmacophore model based on 35 known PLD1 inhibitors. A sub-set of 25 compounds was selected as the training set and the remaining 10 compounds were kept in the test set. One hundred and twelve pharmacophore models were …
The current study reports a three-dimensional pharmacophore model based on 35 known PLD1 inhibitors. A sub-set of 25 compounds …
Antileishmanial activity mediated by apoptosis and structure-based target study of peganine hydrochloride dihydrate: an approach for rational drug design.
Misra P, Khaliq T, Dixit A, SenGupta S, Samant M, Kumari S, Kumar A, Kushawaha PK, Majumder HK, Saxena AK, Narender T, Dube A. Misra P, et al. Among authors: dixit a. J Antimicrob Chemother. 2008 Nov;62(5):998-1002. doi: 10.1093/jac/dkn319. Epub 2008 Aug 11. J Antimicrob Chemother. 2008. PMID: 18694906
OBJECTIVES: The aim of this study was to resolve the putative pathway responsible for death induced by peganine hydrochloride dihydrate isolated from Peganum harmala seeds at cellular, structural and molecular level in Leishmania donovani, a causative agent of fatal viscer …
OBJECTIVES: The aim of this study was to resolve the putative pathway responsible for death induced by peganine hydrochloride dihydrate isol …
Glycosylation Effects on FSH-FSHR Interaction Dynamics: A Case Study of Different FSH Glycoforms by Molecular Dynamics Simulations.
Meher BR, Dixit A, Bousfield GR, Lushington GH. Meher BR, et al. Among authors: dixit a. PLoS One. 2015 Sep 24;10(9):e0137897. doi: 10.1371/journal.pone.0137897. eCollection 2015. PLoS One. 2015. PMID: 26402790 Free PMC article.
However, substantial qualitative differences emerge between FSH15 and FSH24 when FSH is decorated with a much larger, tetra-antennary glycan. ...FSH15 also exhibits a stronger binding free energy, due in large part to formation of closer and more persistent salt-bri …
However, substantial qualitative differences emerge between FSH15 and FSH24 when FSH is decorated with a much larger, tetra-antennary …
Structure-functional prediction and analysis of cancer mutation effects in protein kinases.
Dixit A, Verkhivker GM. Dixit A, et al. Comput Math Methods Med. 2014;2014:653487. doi: 10.1155/2014/653487. Epub 2014 Apr 8. Comput Math Methods Med. 2014. PMID: 24817905 Free PMC article.
A central goal of cancer research is to discover and characterize the functional effects of mutated genes that contribute to tumorigenesis. ...According to our analysis, the mechanism of activating mutations reflects a combined effect of partial destabilization of t
A central goal of cancer research is to discover and characterize the functional effects of mutated genes that contribute to tumorige
In silico biology of H1N1: molecular modelling of novel receptors and docking studies of inhibitors to reveal new insight in flu treatment.
Behera DK, Behera PM, Acharya L, Dixit A, Padhi P. Behera DK, et al. Among authors: dixit a. J Biomed Biotechnol. 2012;2012:714623. doi: 10.1155/2012/714623. Epub 2012 Oct 17. J Biomed Biotechnol. 2012. PMID: 23125526 Free PMC article.
The influenza virus is roughly spherical and is enveloped by a lipid membrane. There are two glycoproteins in this lipid membrane; namely, hemagglutinin (HA) which helps in attachment of the viral strain on the host cell surface and neuraminidase (NA) that is responsible f …
The influenza virus is roughly spherical and is enveloped by a lipid membrane. There are two glycoproteins in this lipid membrane; na …
Comparative molecular dynamics studies of heterozygous open reading frames of DNA polymerase eta (η) in pathogenic yeast Candida albicans.
Satpati S, Manohar K, Acharya N, Dixit A. Satpati S, et al. Among authors: dixit a. Sci Rep. 2017 Jan 25;7:41087. doi: 10.1038/srep41087. Sci Rep. 2017. PMID: 28120914 Free PMC article.
Genomic instability in Candida albicans is believed to play a crucial role in fungal pathogenesis. DNA polymerases contribute significantly to stability of any genome. ...Our study has predicted two novel molecular interactions, a highly conserved molecular tetrad o …
Genomic instability in Candida albicans is believed to play a crucial role in fungal pathogenesis. DNA polymerases contribute signifi …
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