Membership of Societies
Drug design and discovery, Bioinformatics
Information stored in genes moves via RNA to its active implementation as proteins. The proteins by interacting with other proteins carry out diverse molecular processes e.g. metabolism, transport, cell cycle regulation etc. Direct protein–protein interactions are one of the strongest indications of a functional relationship between genes and this fact can be utilized for the identification of candidate genes. An understanding of the complex interplay between genes and their products may help in identifying the causative factors of the disease/disorder. Therefore, the study of the protein-protein interaction (PPI) network is of great importance. The recent advances in computer hardware and software coupled with biological knowledge have made it possible to study these interactions in great details. Recently, many studies on PPIs and their role and physiology and pathophysiology have been reported in scientific literature.
In our lab we are focusing on two major areas of interest (1) Understanding the protein-protein interaction networks in the of etiology of oral cancer (2) To understand the effect of small alterations e.g. point mutations and indels on protein function using Bioinformatics techniques.
Research activities: The following major research activities were conducted and/or going on:
1. Identification of candidate genes related to oral squamous cell carcinoma: The cancer of the oral cavity is a major concern in our country. We have used an integrated bioinformatics approach to predict candidate genes related to oral squamous cell carcinoma (OSCC). A detailed analysis led us to propose a role for four genes in the invasion and metastasis in OSCC. We further validated our predictions using immunohistochemistry (IHC) in the OSCC tissue samples.
|(Detailed study is published in Scientific Reports 2017, 7, 2472)|
|(Detailed study has been published in Scientific Reports 2017, 7, 41087)|
|(Detailed study was published in Biochimie, 2014, 97, 181-193.)|
|(Detailed study was published in Mol. BioSystems 2016, 12, 3017-3031.)|
4. The modeling and docking studies on A3AR receptor: The adenosine receptor (A3) belong to the G protein-coupled receptors (GPCRs). It has been modulated for the treatment of several diseases such as cancer, cardiac ischemia, asthma, glaucoma, and inflammation. A homology model of A3AR receptor has been developed and refined. A series of compounds have been designed, synthesized and their molecular docking studies in A3AR have been performed.
|(Detailed study was published in RSC Advances, 2016, DOI: 10.1039/C5RA26416B.)|
|(Detailed studies have been published in J. Med. Chem. 2013, 56, 6871-6885 and J. Med. Chem., 2014, 57, 7325-7341)|
Identification of oral cancer related candidate genes by integrating protein-protein interactions, gene ontology, pathway analysis and immunohistochemistry, Ravindra Kumar, Sabindra K Samal, Samapika Routray, Rupesh Dash and Anshuman Dixit* Scientific Reports, 2017, 7: 2472.
Comparative molecular dynamics studies of heterozygous open reading frames of DNA polymerase eta (η) in pathogenic yeast Candida albicans, Suresh Satpati, Manohar Kodavati, Narottam Acharya*, Anshuman Dixit*, Scientific Reports, 2017, 7:41087.
Identification of LIPY inhibitors as antitubercular agents using stepwise virtual screening. S Satpati, P Behera, A Dixit, Int. J. Pharm. Chem. Biol. Sci. 6 (4), 2016
S95C substitution in CuZn-SOD of Ipomoea : impact on the structure, and stability, P Mishra, S Satpati, SK Baral, A Dixit*, SC Sabat*, Mol. BioSystems 2016.
“Novel homologated- adenosine derivatives as A3 adenosine receptor agonists: design, synthesis and molecular docking studies”, Amarendra Panda, Suresh Satpati, Anshuman Dixit* and Shantanu Pal*, RSC Adv., 2016, DOI: 10.1039/C5RA26416B.
“Anoxic-Aerobic SBR system for nitrate, phosphate and COD removal from high-strength wastewater and diversity study of microbial communities“, J. Jena, Ravindra Kumar, Anshuman Dixit, Trupti Das, Biochem. Engg. J., 2016, 105, Part A, 80–89.
Doxorubicin Inhibits E. coli Division by Interacting at a Novel Site in FtsZ, Pragnya Panda, Ashoka Chary, Suresh Satpati, Mitali Madhusmita Kar, Anshuman Dixit*, Tushar Kant Beuria*, Biochem. J., 2015 (DOI: 10.1042/BJ20150467).
“Glycosylation effects on FSH-FSHR interaction dynamics: A case study of different FSH glycoforms by molecular dynamics simulations”, Biswa Ranjan Meher, Anshuman Dixit, George R. Bousfield, Gerald H Lushington, PLOS ONE, 2015 (10, e0137897).
Development of novel antibodies against non-structural proteins nsP1, nsP3 and nsP4 of chikungunya virus: potential use in basic research, Sameer Kumar, Prabhudutta Mamidi, Abhishek Kumar, Itishree Basantray, Umarani Bramha, Anshuman Dixit, Prasanta Kumar Maiti, Sujay Singh, Amol, Ratnakar Suryawanshi, Subhasis Chattopadhyay, Soma Chattopadhyay, Arch. Virol., 2015 (DOI 10.1007/s00705-015-2564-2).
Ebola virus: Past, present and future, Harish Rajak, Deepak Kumar Jain, Singh, Ajay Kumar Sharma, Anshuman Dixit, Asian Pac J Trop Biomed., 2015, 4(5).
“Molecular modeling and identification of novel Glucokinase activators through stepwise virtual screening”, Pabitra Mohan Behera, Deepak Kumar Behera, Suresh Satpati, Geetanjali Agnihotri, Sanghamitra Nayak, Payodhar Padhi, Anshuman Dixit*, J. Mol. Graph. Model., 57, 122-130, 2015.
Evaluation of simultaneous nutrient and COD removal with (PHB) accumulation using mixed microbial consortia under anoxic condition and their bioinformatics analysis, Jyotsnarani Jena, Ravindra Kumar, Anshuman Dixit, Sony Pandey and Trupti Das, PLOS ONE, 2015 10(2):e0116230.
“Development of constrained tamoxifen mimics and their antiproliferative properties against breast cancer cells”, Sivakumar Archana, Ramasatyaveni Geesala, Narasimha B Rao, Suresh Satpati, Giridhar Puroshottam, Akhila Panasa, Anshuman Dixit, Amitava Das, Ajay Kumar Srivastava, Bioorg. Med. Chem. Lett. 25 (3), 680-684, 2015.
”Human Toll-like Receptor 8-Selective Agonistic Activities in 1-Alkyl-1H-benzimidazol-2-amines”, Mallesh Beesu, Subbalakshmi S. Malladi, Lauren M Fox, Cassandra D. Jones, Anshuman Dixit, Sunil A. David, J. Med. Chem., 2014, 57, 7325-7341.
“ERRβ Signaling Involves FST and BCAS2 for Inhibiting Cellular Proliferation in Breast Cancer Cells” Debomita Sengupta, Dharmendra Bhargava, Anshuman Dixit, Bhabani Sahoo, Sutapa Biswas, Ghanashyam Biswas, Sandip Mishra, British Journal of Cancer, 1/2014 DOI:10.1038/bjc.2014.53.
“Structure-Functional Prediction and Analysis of Cancer Mutations in Protein Kinases: Implications for Targeting Genomic Variants with Personalized Drugs,” Anshuman Dixit, Gennady Verkhivker, Comp. Math. Meth. Med., 2014.
Mechanistic study of CuZn- SOD from Ipomoea mutated at dimer interface: enhancement of peroxidase activity upon monomerization, P. Mishra, Anshuman Dixit, Mamata Ray, S.C. Sabat, Biochimie, 2014, 97, 181-193.
“Exquisite Selectivity For Human Toll-like Receptor 8 in Substituted Furo[2,3-c]quinolines”, Hari Prasad , Diptesh Sil, Subbalakshmi S. Malladi, Rajalakshmi Balakrishna, Alec Hermanson, Lauren Fox, Xinkun Wang, Anshuman Dixit, Sunil A. David, J. Med. Chem. 2013, 56, 6871-6885.
“A Structural insight into Hydroxamic Acid Based Histone Deacetylase Inhibitors for the Presence of Anticancer Activity”, Harish , Kamlesh Raghuvanshi, Ravichandran Veerasamy, Prabodh Chander Sharma, Anshuman Dixit, Pradeep Mishra, Curr. Med. Chem., 2013.
“In Silico Expressed Sequence Tag (EST) Analysis in Identification of Probable Diabetic Genes as Virtual Therapeutic Targets”, Pabitra Mohan Behera, Deepak Kumar Behera, Aparajeya Panda, Anshuman Dixit, Payodhar Padhi, BioMed Research International 2013.
“Design of combretastatin A-4 analogs as vascular disrupting agent with special emphasis on their cis-restricted isomers” Harish , P.K. Dewangan, V. Patel, D.K. Jain, A. Singh, R. Veerasamy, P. C. Sharma, Anshuman Dixit, Curr. Pharm. Des., 2013, 19, 1923-55.
“Protein Kinase C-theta Inhibitors: A Novel Therapy for Inflammatory Disorders” Sukhvir Chand, Nisha Mehta, Malkeet Singh Bahia, Anshuman Dixit, Om Silakari, Curr. Pharm. Des., 2012, 18, 4725-46.
“In Silico Biology Of H1N1: Molecular Modelling Of Novel Receptors And Docking Studies Of Inhibitors To Reveal New Insight In Flu Treatment” by Deepak Kumar Behera, Pabitra Mohan Behera, Laxmikanta Acharya, Anshuman Dixit, Payodhar Padhi, J. Biomed. Biotech., 2012.
“Integrating ligand-based and protein-centric virtual screening of kinase inhibitors using ensembles of multiple protein kinase genes and conformations” Anshuman Dixit, Gennady M. Verkhivker, J. Chem. Inf. Model. 2012, 52, 2501-15.
“Probing molecular mechanisms of the Hsp90 chaperone: biophysical modeling identifies key regulators of functional dynamics” Anshuman Dixit, Gennady Verkhivker, PLoS One. 2012, 7(5):e37605.
“QSAR studies in 2-(5-bromo-2, 3-dimethoxyphenyl)-5-(aminomethyl)-1H-pyrolle for their binding affinity at D2 and D3 receptors” Shashi B. Tiwari, Sushil K. , Anshuman Dixit, Gunjan Shukla, Varsha , Ajay Kumar, Int. J. Pharm. Bio. Sci., 2011, 1, v425-436.
“The Energy Landscape Analysis of Cancer Mutations in Protein Kinases” Anshuman Dixit, Gennady M. Verkhivker, PLoS ONE, 2011, 6, e26071.
“Computational Modeling of Allosteric Communication Reveals Organizing Principles of Mutation-Induced Signaling in ABL and EGFR Kinases”, Anshuman Dixit, Gennady M. Verkhivker, PLoS Comput. Bio. 2011, 7, e1002179.
“Elucidation of the Hsp90 C-terminal Inhibitor Binding Site”, Robert L. Matts, Anshuman Dixit, Laura B. Peterson, Liang Sun, Sudhakar Voruganti, Palgunan Kalyanaraman, Steve Hartson, Gennady Verkhivker, Brian S. J. Blagg, ACS Chem. Biol. 2011, 6, 800-807.
“Structural Basis for the High-Affinity Inhibition of Mammalian Membranous Adenylyl Cyclase by 2′,3′-O-(N-Methylanthraniloyl)-Inosine 5′- Triphosphate”, Melanie Hübner, Anshuman Dixit, Tung-Chung Mou, Gerald H. Lushington, Cibele Pinto, Andreas Gille, Jens Geduhn, Burkhard König, Stephen R. Sprang, Roland Seifert. Mol. Pharmacol. 2011. 80, 87-96.
“A systematic protocol for the characterization of HSP90 modulators ”, Robert L. Matts, Gary E.L. Brandt, Yuanming Lu, Anshuman Dixit, Mehdi Mollapour, Suiquan Wang, Alison C. Donnelly, Leonard Neckers, Gennady Verkhivker, Brian S.J. Blagg. Bioorg. Med. Chem., 2011, 19, 684-92.
“Structural and computational biology of the molecular chaperone Hsp90: from understanding molecular mechanisms to computer-based inhibitor design.” Gennady Verkhivker, Anshuman Dixit, Giulia Morra and Georgio Colombo. Curr. Top. Med. Chem. 2009, 9, 1369-85. (Impact factor 3.89, Citation 13)
“Sequence and structure signatures of cancer mutation hotspots in protein kinases” Anshuman Dixit, Lin Yi, Gowthaman, Ali Torkamani, Nicholas J. Schork and Gennady M. Verkhivker, PLOS ONE, 2009, 4, e7485.
“Hierarchical Modeling of Activation Mechanisms in the ABL and EGFR Kinase Domains: Thermodynamic and Mechanistic Catalysts of Kinase Activation by Cancer Mutations” Anshuman Dixit, Gennady M. Verkhivker, PLoS Comput. Bio. 2009, 5, e1000487.
“Computational modeling of structurally conserved cancer mutations in the RET and MET The impact on protein structure, dynamics, and stability” Anshuman Dixit, Ali Torkmani, Nicholas J. Schork, Gennady M. Verkhivker, . J., 2009, 96, 858-874.
“2-Thiazolylimino/Heteroarylimino-5-arylidene-4-thiazolidinones as New Agents with SHP-2 Inhibitory Action” A. Geronikaki, P. Eleftheriou, P. Vicini, I. Alam, A. Dixit, A. K. Saxena, J. Med. Chem., 2008, 51, 5221–5228.
“Antileishmanial activity mediated by apoptosis and structure-based target study of hydrochloride dihydrate: an approach for rational drug design” P. Misra, T. Khaliq, Anshuman Dixit, Souvik , Mukesh Samant, Shraddha Kumari, Awanish Kumar, Pramod K. Kushawaha, H. K. Majumder, Anil K. Saxena, T. Narender, Anuradha Dube, J. Antimicrob. Chemother., 2008, 998– 1002.
“An Investigation of Structurally Diverse Carbamates for Acetylcholinesterase () Inhibition Using 3D-QSAR Analysis” Kuldeep K. Roy, Anshuman Dixit, Anil Kumar Saxena J. Mol. Graph. Model. 2008, 27, 197-208.
“Internet resources in GPCR modeling” Anil K. Saxena, I. Alam, A. Dixit, M. Saxena, SAR QSAR Environ Res. 2008, 19, 11-25.
“QSAR analysis of PPAR-γ agonists as anti-diabetic agents” Anshuman Dixit, Anil Kumar Saxena, Eur. J. Med. Chem. 2008, 43, 73-80.
“Computer-Aided Drug Design: Integration of Structure-Based and Ligand-Based Approaches in Drug Design” Phillip Prathipati, Anshuman Dixit, Anil Kumar Saxena, Cur. Comp. Aid. Drug. Des. 2007, 3, 341-352.
“BioSuite: A comprehensive bioinformatics software package (A unique industry–academia collaboration)” Anshuman Dixit et al. CURRENT SCIENCE, 2007, 92, 29-38.
“QSAR studies on cis- and : A new class of selective PDE-4 inhibitors” M. Lakshmi, Anshuman Dixit, Anil Kumar Saxena, Ind. J. Chem.B, 2006, 45A, 34-44.
“Development of CoMFA, advance CoMFA and CoMSIA models in as thrombin receptor antagonist” Anshuman Dixit, Sushil Kumar , Gaur, Anil Kumar Saxena, Bioorg. Med. Chem. 2004, 12, 3591-3598.
“Pharmacophore identification and 3D-QSAR studies in N-(2-benzoyl phenyl)-tyrosines as PPARγ agonists” L. Rathi, Sushil Kumar , Anshuman Dixit, Gyanendra Pandey, Anil Kumar Saxena, Bioorg. Med. Chem. 2004, 12, 63-69.
“QSAR analysis of 4,5-diarylpyrroles with cyclooxygenase-2 inhibitory activity” Om Silakari, Anshuman Dixit, D. V. Kohli, S. C. Chaturvedi, Ind. J. Pharm. Sci., 2001, 518-521.
|Bioinformatics, Computational Biology, Drug design and discovery
|Mr. S. Suresh (DST-SRF) – Ph.D. Scholar
Current Project :- Computational modeling and structural studies on DNA polymerase eta from C. albicans
M.Sc. (Bioinformatics) – GITM, Visakhapatanam
B.Sc. (Biotechnology) – Pt. Ravishankar Shukla University, Raipur
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|Mr. Ravindra Kumar (DBT-SRF) – Ph.D. Scholar
Current project :- Bioinformatics Analysis of cancer genes and Identification of novel drug targets
M.Tech. (Bioinformatics) – University of Hyderabad, Hyderabad
B.E. (Biotechnology) – NSIT, University of Delhi, New Delhi
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|Mr. Sugandh Kumar (UGC-JRF) – Ph.D. Scholar
Current Project :– Computational Tools development and Bioinformatics analysis of drug development
M.Sc. (Bioinformatics) – Central University of Bihar, Patna (India)
B.Sc. (Biotechnology) – Punjab Technical University, Jalandhar (India)
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|Dr. Pabitra Mohan Behera – Post-Doctoral Fellow (DST-SERB)
-#- Bioinformatics prediction and validation of novel candidate genes in diabetes mellitus
-#- Computational biology of protein kinases
PhD (Biotechnology), SOA University, Bhubaneswar, Odisha, 2015.
MSc (Bioinformatics), Odisha University of Agriculture and Technology, 2006.
BSc (CBZ, Hons with Distinction), Utkal University, 2004.
JRF/SRF in Centre of Biotechlogy, SOA University, Bhubaneswar, Odisha, 2010-2015.
Joined ILS as a Post-Doctoral Fellow in March 2016.
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|Ms. Shaheerah Khan – Ph.D Scholar
Current Project : Biological Network Analysis.
M.Sc (Bioinformatics) : University of Pondicherry, Puducherry
B.Sc (Zoology) : University of Calcutta, Kolkata
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Bioinformatics, Computational Biology, Drug design and discovery
Page under construction.
anshuman [at] ils [dot] res [dot] in, anshumandixit [at] gmail [dot] com
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0091 674 2300728
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