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Dr. Anshuman Dixit


Degree University/Institution
M. PharmDept. of Pharm. Sci., Dr. H. S. Gour University, Sagar, M. P. (India).
Ph.D.Central Drug Research Institute (CDRI), Lucknow, India

Work Experience

Awards & Recognition



Drug design and discovery, Bioinformatics

Broad research activities;

In our lab, we are focusing on the following areas of interest

(1) Understanding the etiology of oral cancer to detect early and late stage biomarkers for the development of diagnostic and therapeutic approaches

(2) Analysis of biological networks (e.g. protein-protein interaction) for the identification of novel targets

(3) Impact of small alterations e.g. point mutations and indels on protein structure, function, and stability

(4) Identification of small molecule modulators (agonists/antagonists) using computational 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)
2. Modeling and structural studies of C. albicans DNA Polymerases: We have started our studies to understand the structure-function relationships in DNA polymerases of C. albicans which is still less understood. It is hoped that these studies will provide an understanding of the function of C. albicans polymerases and will present an opportunity to develop more effective polymerase inhibitors as new antifungal agents.
DNA polymerase eta (Polη) is unique as it promotes efficient and error-free replication bypass of UV-induced cyclobutane pyrimidine dimers (CPDs). C. albicans is heterozygous in carrying Polη genes and the nucleotide substitutions are found in the ORFs only. We have done an in-silico study to characterize these orthologs in DNA Polη.
For the first time, we have reported the presence of a molecular tetrad between the residues (Glu163-Lys278 and Glu169-Lys282) that makes a solid platform in the palm beside the catalytic triad. Interestingly, the residues of the molecular tetrad are evolutionarily conserved and the significance of such a tetrad in the catalysis of Polη is discussed.
(Detailed study has been published in Scientific Reports 2017, 7, 41087)
3. Structure function analysis in CuZn-SOD of Ipomoea carnea: The enzymatically active monomeric form of CuZn-superoxide dismutase has always been of interest to decipher the structure-function relationship in this class of enzymes. We have performed several computational studies on wild type (WT) and mutant (MT) dimers of I. carnea CuZn-superoxide dismutase to investigate the factors affecting stability and, the molecular basis of the observed difference in biological activity of various mutant dimers.
In the first study, we have investigated the reasons of increased monomer population when a Leu is mutated to a lysine residue (L49K) in CuZn-superoxide dismutase from I-carnea. We found using molecular modeling and MD simulation studies that this specific mutation induces loss of hydrophobic interaction at dimer interface, resulting in the observed instability of the dimeric form.
(Detailed study was published in Biochimie, 2014, 97, 181-193.)
The S95C substitution in I. carnea CuZn-SOD leads to increase in dimeric strength. The mutant form shows relatively lesser tendency to form aggregates and has lesser activity as compared to the native enzyme.
Using bioinformatics techniques we have shown that the mutation leads to the creation of new subunit interface leading to increased dimeric strength. This study provides new mechanistic insight into the role of free cysteine in CuZn-SODs. The results of bioinformatics analysis are well corroborated by experimental observations.
(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.)
 5. Virtual screening of chemical libraries to identify FtsZ inhibitors: The development of inhibitors of FtsZ as antimicrobial agents is a promising approach to develop new antibiotics. The computational studies indicated that natural compound doxorubicin binds at a novel site on FtsZ with good affinity. Detailed biochemical analysis validated the predictions. The present study suggests the presence of a novel binding site in FtsZ that interacts with the small molecules and can be targeted for the screening and development of new antibacterial agents.
We are continuing our efforts in this direction.
The detailed study was published in Biochem. J., 2015, DOI: 10.1042/BJ20150467.
5. Molecular modeling studies on TLRs: The Toll-like receptors (TLRs) serve as the sensors of the innate immune system. Their activation leads to the production of inflammatory cytokines followed by activation of immune response.
Toll-like receptor 8 (TLR8) is a member of the TLR family. Agonists of TLR8 activate adaptive immune responses by inducing robust production of T helper 1-polarizing cytokines, suggesting that TLR8-active compounds may be promising candidate adjuvants.
A series of compounds were synthesized by our collaborator. We have done molecular modeling studies including homology modeling and molecular docking studies.
(Detailed studies have been published in J. Med. Chem. 2013, 56, 6871-6885 and J. Med. Chem., 2014, 57, 7325-7341)
Facilities available:
ILS have a high-performance computing facility (144 nodes) with InfiniBand interconnect. Additionally, we have a number of workstations and desktops for research work.
ILS have many commercial and free software available. The major commercial software available are Schrodinger suite, Discovery studio, Openeye suite, GOLD, CLC-Genomics workbench etc. Additionally NAMD, VMD, GROMACS, MMTSB, BowTie, NovoAlign, BWA aligner, Cytoscape, Modeller, I-TASSER etc are also available. All the software are installed on high performance computing cluster and are accessible from within the institute.
In addition, ILS have a high-speed internet connection from National Knowledge Network (NKN) and Software Technology Parks of India (STPI).
PhD positions available:
We are looking for bright and motivated candidates for PhD position in Bioinformatics. Please check




  1. Mohanty, S., Mishra, B.K., Dasgupta, M., Acharya, G., Singh, S., Naresh, P., Bhue, S., Dixit, A., Sarkar, A., Sahoo, M.R. Deciphering phenotyping, DNA barcoding, and RNA secondary structure predictions in eggplant wild relatives provide insights for their future breeding strategies. Scientific Reports, 13, 13829, 2023. 
  2. Abhishek, Kondyarpu; Mohanta, Bineet Kumar; Kumari, Pratima; Dixit, Anshuman; Puppala, Venkat Ramchander; GeMemiOM—the first curated database on Genes, putative Methylation study targets, and microRNA targets for Otitis Media, Journal of Genetics and Genomics, 1673-8527(23)00162-5, 2023.
  3. Nagaraj, Viswanathan Arun; Ghosh, Sourav; Kundu, Rajib; Chandana, Manjunatha; Das, Rahul; Anand, Aditya; Beura, Subhashree; Bobde, Ruchir; Jain, Vishal; Prabhu, Sowmya; Behera, Prativa; Mohanty, Akshaya; Mahabala, Chakrapani; Satyamoorthy, Kapaettu; Suryawanshi, Amol; Dixit, Anshuman; Padmanaban, Govindarajan, “Distinct Evolution of Type I Glutamine Synthetase in Plasmodium and its Species-specific Requirement” Nature Communications, 14, 4216, 2023.
  4. Nayak, J.; Jena, Soumya Ranjan; Kumar, Sugandh; Kar, Sujata; Dixit,  Anshuman; Samanta, Luna, Human sperm proteome reveals the effect of environmental borne seminal polyaromatic hydrocarbons exposome in etiology of idiopathic male factor infertility, Frontiers in Cell and Developmental Biology-Molecular and Cellular Pathology. Just Published, 2023.


  1. Kumari, Pratima; Kumar, Sugandh; Sethy, Madhusmita; Bhue, Shyamlal; Mohanta, Bineet Kumar; Dixit, Anshuman, Identification of Therapeutically Potential Targets and their Ligands for the Treatment of OSCC, Frontiers in Oncology, 2022. 
  2. Swain, Nirlipta; Samanta, Luna; Goswami, Chandan; Kar, Sujata; Majhi, Rakesh Kumar; Kumar, Sugandh;  Dixit, Anshuman,  TRPV1 channel in spermatozoa is a molecular target for ROS mediated sperm dysfunction and differentially expressed in both natural and ART pregnancy failure, Frontiers in Cell and Developmental Biology, 2022.
  3. Nayak, J.; Jena, SR; Kumar, S.; Kar, S.; Dixit, A.; Samanta, L. Comparative proteome profiling of seminal components reveal impaired immune cell signaling as paternal contributors in recurrent pregnancy loss patients, American Journal of Reproductive Immunology, e13613,  doi: 10.1111/aji.13613.2022.
  4. Kumar, Anoop; Sahu, Utkarsha; Kumari, Pratima; Dixit, Anshuman; Khare, Prashant; Designing of multi-epitope chimeric vaccine using immunoinformatic platform by targeting oncogenic strain HPV 16 and 18 against cervical cancer, Scientific Reports, 12:9521, 2022.
  5. Kumari, Pratima; Debta, Priyanka; Dixit, Anshuman; Oral Potentially Malignant Disorders: Etiology, Pathogenesis, and Transformation Into Oral Cancer. Frontiers in Pharmacology, 13: 825266, 2022.
  6. Singh, Deepika; Mohapatra, Priyanka; Kumar, Sugandh; Behera, Somalisa; Dixit, Anshuman; Sahoo, Sanjeeb Kumar; Nimbolide-encapsulated PLGA nanoparticles induces Mesenchymal-to-Epithelial Transition by dual inhibition of AKT and mTOR in pancreatic cancer stem cells, Toxicology in Vitro, 79 105293 5, 2022.
  7. Nayak, Jasmine; Jena, Soumya Ranjan; Kumar, Sugandh; Kar, Sujata; Dixit, Anshuman; Samanta, Luna; Association of seminal polyaromatic hydrocarbons exposome with idiopathic male factor infertility: A proteomic insight into sperm function, bioRxiv, 2022.
  8. S Khan, R Sinha, S Sarkar, A Dixit, S Routray, Microbial Dysbiosis in Oral Cancer In Microbes and Oral Squamous Cell Carcinoma, 95-106, 2022.
  9. S Khan, R Sinha, S Routray, A Dixit, Implications and Future Perspectives In Microbes and Oral Squamous Cell Carcinoma, 163-172, 2022.
  10. S Khan, R Sinha, A Dixit, Microbial “OMICS” in Oral Cancer In Microbes and Oral Squamous Cell Carcinoma, 149-161, 2022


  1. Agarwal, Shivangi; Sau, Samaresh; Iyer, Arun K; Dixit, Anshuman; Kashaw, Sushil K; Multiple strategies for the treatment of invasive breast carcinoma: a comprehensive prospective, Drug Discovery Today, 2021. doi:10.1016/j.drudis.2021.10.008
  2. Fatma, Sana; Kumar, Ravindra; Dixit, Anshuman; Swain, Rajeeb K; Expression of two uncharacterized protein coding genes in zebrafish lateral line system, International Journal of Developmental Biology, 2021.
  3. Dabas, Preeti; Dhingra, Yukti; Sweta, Kumari; Chakrabarty, Mohima; Singhal, Ritwik; Tyagi, Prasidhi; Behera, Pabitra Mohan; Dixit, Anshuman; Bhattacharjee, Saikat; Sharma, Nimisha; Arabidopsis thaliana possesses two novel ELL Associated Factor (EAF) Homologs, IUBMB Life, 2021.
  4. Kumar, Sugandh; Singh, Bharati; Kumari, Pratima; Kumar, Preethy V; Agnihotri, Geetanjali; Khan, Shaheerah; Beuria, Tushar Kant; Syed, Gulam Hussain; Dixit, Anshuman, Identification of multipotent drugs for COVID-19 therapeutics with the evaluation of their SARS-CoV2 inhibitory activity, Computational and Structural Biotechnology Journal, 19, 1998-2017, 2021.
  5. Khan, Shaheerah; Jha, Atimukta;  Panda, Amaresh C.; Dixit, Anshuman, Cancer-associated circRNA-miRNA-mRNA regulatory networks: A meta-analysis, Frontiers in Molecular Biosciences, 8, 337, 2021.
  6. Shriwas, Omprakash; Arya, Rakesh; Mohanty, Sibasish; Mohapatra, Pallavi; Kumar,  Sugandh; Rath, Rachna; Kaushik, Sandeep Rai; Pahwa, Falak; Murmu, Krushna Chandra; Majumdar, Saroj Kumar Das; Muduly, Dillip Kumar; Dixit, Anshuman; Prasad, Punit; Nanda, Ranjan K.; Dash, Rupesh, RRBP1 rewires cisplatin resistance in oral squamous cell carcinoma by regulating Hippo pathway. Br J Cancer, 124, 2004–2016, 2021.
  7. Routray, Samapika; Kumar, Ravindra; Datta, Keshava K; Puttamallesh, Vinuth N; Chatterjee, Aditi; Gowda, Harsha; Mohanty, Neeta; Dash, Rupesh; Dixit, Anshuman, An integrated approach for identification of a panel of candidate genes arbitrated for invasion and metastasis in oral squamous cell carcinoma, Scientific Reports, 11, 1, 2021.
  8. Koochana, Prashanth Kumar; Mohanty, Abhinav; Parida, Akankshika; Behera, Narmada; Behera, Pabitra Mohan; Dixit, Anshuman; Behera, Rabindra K, Flavin-mediated reductive iron mobilization from frog M and Mycobacterial ferritins: impact of their size, charge and reactivities with NADH/O 2, Journal of Biological Inorganic Chemistry, 26, 265-281, 2021.
  9. Nayak, A.; Kumar, S.; Singh, S; Bhattacharyya, A.; Dixit, A.; Roychowdhury, A., Oncogenic Potential of ATAD2 in Stomach Cancer and Insights into the Protein-protein Interactions at Its AAA+ATPase Domain and Bromodomain. Journal of Biomolecular Structure and Dynamics, 13, 1-17, 2021.
  10.  Jena, Soumya R; Nayak, Jasmine; Kumar, Sugandh; Kar, Sujata; Dixit, Anshuman; Samanta, Luna, Paternal contributors in recurrent pregnancy loss: Cues from comparative proteome profiling of seminal extracellular vesicles, Molecular reproduction and development, 88, 1, 96-112, 2021.


  1. Swain, N.; Samanta, L.; Agarwal, A.; Kumar, S.; Dixit, A.; Gopalan, B.; Durairajanayagam, D.; Sharma, R.; Pushparaj, P. N.; Baskaran, S., Aberrant upregulation of compensatory redox molecular machines may contribute to sperm dysfunction in infertile men with unilateral varicocele: A proteomic insight. Antioxidants & Redox Signaling 2020, 32 (8), 504-521.
  2. Raghav, S.; Ghosh, A.; Turuk, J.; Kumar, S.; Jha, A.; Madhulika, S.; Priyadarshini, M.; Biswas, V. K.; Shyamli, P. S.; Singh, B., … Dixit A, Analysis of Indian SARS-CoV-2 Genomes Reveals Prevalence of D614G Mutation in Spike Protein Predicting an Increase in Interaction With TMPRSS2 and Virus Infectivity, Frontiers in Microbiology, 2020, 11, 2847.
  3. Mishra, M.; Agarwal, S.; Dixit, A.; Mishra, V. K.; Kashaw, V.; Agrawal, R. K.; Kashaw, S. K., Integrated computational investigation to develop molecular design of quinazoline scaffold as promising inhibitors of plasmodium lactate dehydrogenase. Journal of Molecular Structure 2020, 1207, 127808.
  4. Kumar, S.; Patnaik, S.; Dixit, A., Predictive models for stage and risk classification in head and neck squamous cell carcinoma (HNSCC). PeerJ 2020, 8, e9656.
  5. Kumar, S.; Kumari, P.; Agnihotri, G.; VijayKumar, P.; Khan, S.; Syed, G. H.; Dixit, A., Identification of Drugs Targeting Multiple Viral and Human Proteins Using Computational Analysis for Repurposing Against COVID-19. ChemRxiv, 2020.
  6. Das, D.; Das, A.; Sahu, M.; Mishra, S. S.; Khan, S.; Bejugam, P. R.; Rout, P. K.; Das, A.; Bano, S.; Mishra, G. P., Identification and Characterization of Circular Intronic RNAs Derived from Insulin Gene. International journal of molecular sciences 2020, 21 (12), 4302.
  7. Chanwala, J.; Satpati, S.; Dixit, A.; Parida, A.; Giri, M. K.; Dey, N., Genome-wide identification and expression analysis of WRKY transcription factors in pearl millet (Pennisetum glaucum) under dehydration and salinity stress. BMC genomics 2020, 21 (1), 1-16.
  8. Agarwal, S.; Naik, S.; Kumari, P.; Mishra, S. K.; Adhya, A. K.; Kashaw, S. K.; Dixit, A., Stagewise identification of significantly mutated gene clusters in major molecular classes of breast invasive carcinoma. bioRxiv 2020.
  9. Agarwal, S.; Dixit, A.; Kashaw, S. K., Ligand and structure based virtual screening of chemical databases to explore potent small molecule inhibitors against breast invasive carcinoma using recent computational technologies. Journal of Molecular Graphics and Modelling 2020, 107591.


  1. Satapathy, S.; Behera, P. M.; Tanty, D. K.; Srivastava, S.; Thatoi, H.; Dixit, A.; Sahoo, S. L., Isolation and molecular identification of pectinase producing Aspergillus species from different soil samples of Bhubaneswar regions. bioRxiv 2019, 837112.
  2. Koochana, P. K.; Mohanty, A.; Subhadarshanee, B.; Satpati, S.; Naskar, R.; Dixit, A.; Behera, R. K., Phenothiazines and phenoxazines: as electron transfer mediators for ferritin iron release. Dalton transactions 2019, 48 (10), 3314-3326.
  3. Gupta, D.; Satpati, S.; Dixit, A.; Ranjan, R., Fabrication of biobeads expressing heavy metal-binding protein for removal of heavy metal from wastewater. Applied microbiology and biotechnology 2019, 103 (13), 5411-5420.
  4. Dash, U. C.; Kanhar, S.; Dixit, A.; Dandapat, J.; Sahoo, A. K., Isolation, identification, and quantification of Pentylcurcumene from Geophila repens: A new class of cholinesterase inhibitor for Alzheimer’s disease. Bioorganic chemistry 2019, 88, 102947.


  1. Punganuru, S. R.; Madala, H. R.; Mikelis, C. M.; Dixit, A.; Arutla, V.; Srivenugopal, K. S., Conception, synthesis, and characterization of a rofecoxib-combretastatin hybrid drug with potent cyclooxygenase-2 (COX-2) inhibiting and microtubule disrupting activities in colon cancer cell culture and xenograft models. Oncotarget 2018, 9 (40), 26109.
  2. Koochana, P. K.; Mohanty, A.; Das, S.; Subhadarshanee, B.; Satpati, S.; Dixit, A.; Sabat, S. C.; Behera, R. K., Releasing iron from ferritin protein nanocage by reductive method: The role of electron transfer mediator. Biochimica et Biophysica Acta (BBA)-General Subjects 2018, 1862 (5), 1190-1198.


  1. Singh, A.; Raghuwanshi, K.; Patel, V. K.; Jain, D. K.; Veerasamy, R.; Dixit, A.; Rajak, H., Assessment of 5-substituted isatin as surface recognition group: design, synthesis, and antiproliferative evaluation of hydroxamates as novel histone deacetylase inhibitors. Pharmaceutical Chemistry Journal 2017, 51 (5), 366-374.
  2. Satpati, S.; Manohar, K.; Acharya, N.; Dixit, A., Comparative molecular dynamics studies of heterozygous open reading frames of DNA polymerase eta (η) in pathogenic yeast Candida albicans. Scientific reports 2017, 7 (1), 1-14.
  3. Kumar, R.; Samal, S. K.; Routray, S.; Dash, R.; Dixit, A., Identification of oral cancer related candidate genes by integrating protein-protein interactions, gene ontology, pathway analysis and immunohistochemistry. Scientific reports 2017, 7 (1), 1-18.
  4. Behera, D. K.; Behera, P. M.; Acharya, L.; Dixit, A., Development and validation of pharmacophore and QSAR models for influenza PB2 inhibitors. Chemical Biology Letters 2017, 4 (1), 1-8.
  5. Behera, D.; Behera, P.; Acharya, L.; Dixit, A., Pharmacophore modelling, virtual screening and molecular docking studies on PLD1 inhibitors. SAR and QSAR in Environmental Research 2017, 28 (12), 991-1009.


  1. Satpati, S.; Behera, P.; Dixit, A., IDENTIFICATION OF LipY INHIBITORS AS ANTITUBERCULAR AGENTS USING STEPWISE VIRTUAL SCREENING. International Journal of Pharmaceutical, Chemical & Biological Sciences 2016, 6 (4).
  2. Panda, A.; Satpati, S.; Dixit, A.; Pal, S., Novel homologated-apio adenosine derivatives as A 3 adenosine receptor agonists: design, synthesis and molecular docking studies. RSC advances 2016, 6 (14), 11233-11239.
  3. Mishra, P.; Satpati, S.; Baral, S. K.; Dixit, A.; Sabat, S. C., S95C substitution in CuZn-SOD of Ipomoea carnea: impact on the structure, function and stability. Molecular BioSystems 2016, 12 (10), 3017-3031.
  4. Jena, J.; Kumar, R.; Saifuddin, M.; Dixit, A.; Das, T., Anoxic–aerobic SBR system for nitrate, phosphate and COD removal from high-strength wastewater and diversity study of microbial communities. Biochemical Engineering Journal 2016, 105, 80-89.


  1. Rajak, H.; Jain, D. K.; Singh, A.; Sharma, A. K.; Dixit, A., Ebola virus disease: past, present and future. Asian Pacific Journal of Tropical Biomedicine 2015, 5 (5), 337-343.
  2. Panda, P.; Taviti, A. C.; Satpati, S.; Kar, M. M.; Dixit, A.; Beuria, T. K., Doxorubicin inhibits E. coli division by interacting at a novel site in FtsZ. Biochemical Journal 2015, 471 (3), 335-346.
  3. Meher, B. R.; Dixit, A.; Bousfield, G. R.; Lushington, G. H., Glycosylation effects on FSH-FSHR interaction dynamics: a case study of different FSH glycoforms by molecular dynamics simulations. PloS one 2015, 10 (9), e0137897.
  4. Kumar, S.; Mamidi, P.; Kumar, A.; Basantray, I.; Bramha, U.; Dixit, A.; Maiti, P. K.; Singh, S.; Suryawanshi, A. R.; Chattopadhyay, S., Development of novel antibodies against non-structural proteins nsP1, nsP3 and nsP4 of chikungunya virus: potential use in basic research. Archives of virology 2015, 160 (11), 2749-2761.
  5. Jena, J.; Kumar, R.; Dixit, A.; Pandey, S.; Das, T., Evaluation of simultaneous nutrient and COD removal with polyhydroxybutyrate (PHB) accumulation using mixed microbial consortia under anoxic condition and their bioinformatics analysis. PloS one 2015, 10 (2), e0116230.
  6. Behera, P. M.; Behera, D. K.; Satpati, S.; Agnihotri, G.; Nayak, S.; Padhi, P.; Dixit, A., Molecular modeling and identification of novel glucokinase activators through stepwise virtual screening. Journal of Molecular Graphics and Modelling 2015, 57, 122-130.
  7. Archana, S.; Geesala, R.; Rao, N. B.; Satpati, S.; Puroshottam, G.; Panasa, A.; Dixit, A.; Das, A.; Srivastava, A. K., Development of constrained tamoxifen mimics and their antiproliferative properties against breast cancer cells. Bioorganic & medicinal chemistry letters 2015, 25 (3), 680-684.


  1. Rajak, H.; Singh, A.; Raghuwanshi, K.; Kumar, R.; Dewangan, P.; Veerasamy, R.; Sharma, P.; Dixit, A.; Mishra, P., A structural insight into hydroxamic acid based histone deacetylase inhibitors for the presence of anticancer activity. Current medicinal chemistry 2014, 21 (23), 2642-2664.
  2. Mishra, P.; Dixit, A.; Ray, M.; Sabat, S. C., Mechanistic study of CuZn-SOD from Ipomoea carnea mutated at dimer interface: Enhancement of peroxidase activity upon monomerization. Biochimie 2014, 97, 181-193.
  3. Dixit, A.; Verkhivker, G. M., Structure-functional prediction and analysis of cancer mutation effects in protein kinases. Computational and mathematical methods in medicine 2014, 2014.
  4. D Sengupta, D. B., A Dixit, BS Sahoo, S Biswas, G Biswas, SK Mishra, ERRβ Signaling Involves FST and BCAS2 for Inhibiting Cellular Proliferation in Breast Cancer Cells. British journal of cancer 2014, 110 (8), 2144-2158.
  5. Beesu, M.; Malladi, S. S.; Fox, L. M.; Jones, C. D.; Dixit, A.; David, S. A., Human Toll-like receptor 8-selective agonistic activities in 1-alkyl-1 H-benzimidazol-2-amines. Journal of medicinal chemistry 2014, 57 (17), 7325-7341.


  1. Rajak, H.; Kumar Dewangan, P.; Patel, V.; Kumar Jain, D.; Singh, A.; Veerasamy, R.; Chander Sharma, P.; Dixit, A., Design of combretastatin A-4 analogs as tubulin targeted vascular disrupting agent with special emphasis on their cis-restricted isomers. Current pharmaceutical design 2013, 19 (10), 1923-1955.
  2. Kokatla, H. P.; Sil, D.; Malladi, S. S.; Balakrishna, R.; Hermanson, A. R.; Fox, L. M.; Wang, X.; Dixit, A.; David, S. A., Exquisite selectivity for human toll-like receptor 8 in substituted furo [2, 3-c] quinolines. Journal of medicinal chemistry 2013, 56 (17), 6871-6885.
  3. Behera, P. M.; Behera, D. K.; Panda, A.; Dixit, A.; Padhi, P., In Silico Expressed Sequence Tag Analysis in Identification of Probable Diabetic Genes as Virtual Therapeutic Targets. BioMed Research International 2013, 2013.


  1. Dixit, A.; Verkhivker, G. M., Integrating ligand-based and protein-centric virtual screening of kinase inhibitors using ensembles of multiple protein kinase genes and conformations. Journal of chemical information and modeling 2012, 52 (10), 2501-2515.
  2. Dixit, A.; Verkhivker, G. M., Probing molecular mechanisms of the Hsp90 chaperone: Biophysical modeling identifies key regulators of functional dynamics. PloS one 2012, 7 (5), e37605.
  3. Dixit, A.; Verkhivker, G., Probing Molecular Mechanisms of the Hsp90 Chaperone: Biophysical Modeling Identifies Key Regulators of Functional. 2012.
  4. Chand, S.; Mehta, N.; Singh Bahia, M.; Dixit, A.; Silakari, O., Protein kinase C-theta inhibitors: a novel therapy for inflammatory disorders. Current pharmaceutical design 2012, 18 (30), 4725-4746.
  5. Behera, D. K.; Behera, P. M.; Acharya, L.; Dixit, A.; Padhi, P., In silico biology of H1N1: molecular modelling of novel receptors and docking studies of inhibitors to reveal new insight in flu treatment. Journal of Biomedicine and Biotechnology 2012, 2012.


  1. Matts, R. L.; Dixit, A.; Peterson, L. B.; Sun, L.; Voruganti, S.; Kalyanaraman, P.; Hartson, S. D.; Verkhivker, G. M.; Blagg, B. S., Elucidation of the Hsp90 C-terminal inhibitor binding site. ACS chemical biology 2011, 6 (8), 800-807.
  2. Matts, R. L.; Brandt, G. E.; Lu, Y.; Dixit, A.; Mollapour, M.; Wang, S.; Donnelly, A. C.; Neckers, L.; Verkhivker, G.; Blagg, B. S., A systematic protocol for the characterization of Hsp90 modulators. Bioorganic & medicinal chemistry 2011, 19 (1), 684-692.
  3. Matts, R.; Dixit, A.; Peterson, L.; Sun, L.; Voruganti, S.; Kalyanaraman, P.; Hartson, S.; Verkhivker, G.; Blagg, B., Elucidation of the Hsp90 C-terminal inhibitor binding site, ACS Chem. , Article ASAP, doi 2011, 10.
  4. Hübner, M.; Dixit, A.; Mou, T.-C.; Lushington, G. H.; Pinto, C.; Gille, A.; Geduhn, J.; König, B.; Sprang, S. R.; Seifert, R., Structural basis for the high-affinity inhibition of mammalian membranous adenylyl cyclase by 2′, 3′-o-(N-methylanthraniloyl)-inosine 5′-triphosphate. Molecular pharmacology 2011, 80 (1), 87-96.
  5. Dixit, A.; Verkhivker, G. M., The energy landscape analysis of cancer mutations in protein kinases. PloS one 2011, 6 (10), e26071.
  6. Dixit, A.; Verkhivker, G. M., Computational modeling of allosteric communication reveals organizing principles of mutation-induced signaling in ABL and EGFR kinases. PLoS computational biology 2011, 7 (10), e1002179.


  1. Verkhivker, G. M.; Dixit, A.; Morra, G.; Colombo, G., Structural and computational biology of the molecular chaperone Hsp90: from understanding molecular mechanisms to computer-based inhibitor design. Current topics in medicinal chemistry 2009, 9 (15), 1369-1385.
  2. Dixit, A.; Yi, L.; Gowthaman, R.; Torkamani, A.; Schork, N. J.; Verkhivker, G. M., Sequence and structure signatures of cancer mutation hotspots in protein kinases. PloS one 2009, 4 (10), e7485.
  3. Dixit, A.; Verkhivker, G. M., Hierarchical modeling of activation mechanisms in the ABL and EGFR kinase domains: thermodynamic and mechanistic catalysts of kinase activation by cancer mutations. PLoS Comput Biol 2009, 5 (8), e1000487.
  4. Dixit, A.; Torkamani, A.; Schork, N. J.; Verkhivker, G., Computational modeling of structurally conserved cancer mutations in the RET and MET kinases: the impact on protein structure, dynamics, and stability. Biophysical Journal 2009, 96 (3), 858-874.
  5. Saxena, A.; Alam, I.; Dixit, A.; Saxena, M., Internet resources in GPCR modelling. SAR and QSAR in Environmental Research 2008, 19 (1-2), 11-25.
  6. Roy, K. K.; Dixit, A.; Saxena, A. K., An investigation of structurally diverse carbamates for acetylcholinesterase (AChE) inhibition using 3D-QSAR analysis. Journal of Molecular Graphics and Modelling 2008, 27 (2), 197-208.
  7. Misra, P.; Khaliq, T.; Dixit, A.; SenGupta, S.; Samant, M.; Kumari, S.; Kumar, A.; Kushawaha, P. K.; Majumder, H.; Saxena, A. K., Antileishmanial activity mediated by apoptosis and structure-based target study of peganine hydrochloride dihydrate: an approach for rational drug design. Journal of antimicrobial chemotherapy 2008, 62 (5), 998-1002.
  8. Geronikaki, A.; Eleftheriou, P.; Vicini, P.; Alam, I.; Dixit, A.; Saxena, A., 2-Thiazolylimino/heteroarylimino-5-arylidene-4-thiazolidinones as new agents with SHP-2 inhibitory action. Journal of medicinal chemistry 2008, 51 (17), 5221-5228.
  9. Dixit, A.; Saxena, A. K., QSAR analysis of PPAR-γ agonists as anti-diabetic agents. European journal of medicinal chemistry 2008, 43 (1), 73-80.
  10. Team, N.-B., BioSuite: A comprehensive bioinformatics software package (A unique industry—academia collaboration). Current Science 2007, 29-38.
  11. Prathipati, P.; Dixit, A.; Saxena, A. K., Computer-aided drug design: integration of structure-based and ligand-based approaches in drug design. Current Computer-Aided Drug Design 2007, 3 (2), 133-148.
  12. Lakshmi, M.; Dixit, A.; Saxena, A. K., QSAR studies on cis-hexa and tetra-hydrophthalazinones: A new class of selective PDE-4 inhibitors. 2006.
  13. Rathi, L.; Kashaw, S. K.; Dixit, A.; Pandey, G.; Saxena, A. K., Pharmacophore identification and 3D-QSAR studies in N-(2-benzoyl phenyl)-L-tyrosines as PPARγ agonists. Bioorganic & medicinal chemistry 2004, 12 (1), 63-69.
  14. Dixit, A.; Kashaw, S. K.; Gaur, S.; Saxena, A. K., Development of CoMFA, advance CoMFA and CoMSIA models in pyrroloquinazolines as thrombin receptor antagonist. Bioorganic & medicinal chemistry 2004, 12 (13), 3591-3598.
  15. Silakari, O.; Dixit, A.; Kohli, D.; Chaturvedi, S., QSAR analysis of 4, 5-diarylpyrroles with cyclooxygenase-2 inhibitory activity. Indian journal of pharmaceutical sciences 2001, 63 (6), 518-521.

Book chapter

  1. Behera, Pabitra Mohan; Dixit, Anshuman; The story of kinase inhibitors development with special reference to allosteric site, Drug Design: Principles and Applications, 57-68, 2017, Springer, Singapore.

 International Patent

Gaur, Stuti; Fatima, Zeeshan; Dixit, Anshuman; Ali, Zahid; Surin, William Rascan; Kappor, Kapil; Bhutani, Kanta; Ansari, Mohammed Salim; Dikshit, Madhu; Saxena, Anil Kumar; , 2-Alkyl/aryl sulphonyl-1, 2, 3, 4-tetrahydro-9h-pyrido (3, 4-b) indole-3-carboxylic acid esters/amides useful as antithrombotic agents, 2009, US Patent 7,601,838.



Bioinformatics, Computational Biology, Drug design and discovery


Mr. Bineet Kumar Mohanta – Ph.D. Scholar
Ms. Pooja Archana Sahani – Ph.D. Scholar
Mr. Shyamlal Bhue – Ph.D. Scholar
Email :
Ms. Madhusmita Sethy – Ph.D. Scholar


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
Ms. Pratima Kumari – Ph.D Scholar

Clinical Scientist

Dr. Suvam Thakura


Dr. S. Suresh: Postdoctoral Research Associate, MD Anderson Cancer Center, Houston, USA
Dr. Ravindra Kumar: Assistant Professor, National Institute of Technology, Calicut
Dr. Sugandh Kumar: Postdoctoral Research Associate, University of California San Francisco (UCSF), USA
Dr. Pabitra Mohan Behera: Institute of Computational Biology and Bioinformatics, Bhubaneswar

Former Trainee

Dr. Shivangi Agarwal: Postdoctoral Research Associate, University of Illinois, Chicago, USA



Bioinformatics, Computational Biology, Drug design and discovery

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We are looking for bright, motivated researchers for our ongoing research in the computational biology of cancer. Candidates having good programming skills, an interest in machine learning and big data analysis are encouraged to apply for positions advertised on the ILS website.

Candidates whose research interests are in the above fields and who want to apply for postdoctoral fellowships (e.g. NPDF) are encouraged to contact.