Studying virulence mechanisms of microbes: Identification of virulent factors in parasites using comparative
genomics and proteomic analyses, Understanding their resistance mechanisms and establishment of novel
Computer assisted drug designing: Drug target/ biomarker identification using microarray and high
throughput transcriptomic data analyses, Metabolic data analyses, Subtractive genomic approaches,
Protein-protein interaction studies, gene-regulatory network analyses, Molecular modeling, Pharmacophore
analysis & QSAR studies, Virtual screening, Computational protein-protein and protein-drug docking studies
Computational structural biology: Molecular dynamics simulation approaches, Umbrella sampling,
Coarse-grained methods, Simulated annealing, Poisson-Boltzmann electrostatics, MM-PBSA/ GBSA analysis
Modeling and dynamics studies of membrane systems: Biophysical characterization of membrane
proteins and their interaction with associated molecules
Cancer biology: Understanding the complex mechanisms in different types of cancer
Tools/Software handled: Schrodinger, Accelrys GCG Server, Accelrys Discovery Studio, GROMACS,
AMBER tool, APBS tool, Geneious Pro, Autodock, CSD system, GOLD, PHYLIP, MEGA, KEGG, STRING,
BioGrid, FastQC, Bowtie2, BWA, TopHat, HISAT, Cufflinks, StringTie, Ballgown, Velvet, SPADES
and many other academic free scientific software tools and web servers
Programming skill: C & PERL programming, MySQL
Involvement in Projects
Computational biophysical study of human shaker-type ion channels: Here, I have tried to correlate the
structure-function relationship among Kv1.1, Kv1.3 & Kv1.5 ion channel as well as addressed some of the
major existing questions related to their voltage dependent behavior such as functional diversity within ion
channel families, their gating mechanism & ion conduction, role of some particular disease causing mutations,
interaction, and inhibition of the channel by small polypeptides or other compounds.
Genomic analysis of Plasmodium falciparum: Using subtractive genomic approach and computational
genomic approaches, I have identified some new drug targets in Plasmodium falciparum which are responsible
for the survival of the parasite. Additionally, we have characterized its LytB protein and tried to find some
novel lead molecule with potential anti-malarial properties.
Studying structure-function relationship of cystatin super families of proteins: In this project, we
have studied the mechanism of all atom based interaction of several cystatins with cysteine proteases like
cathepsins and papains.
Studying the role of tea catechins/ curcumin in pulmonary artery smooth muscle cells: Inhibition of
PLD activity was studied by means of interaction with cytohesin1-Arf6GDP and tea catechins/ curcumin,
which has importance in prevention of several diseases such as pulmonary hypertension, cancer and
Activation/inhibition of SIRT1 by some newly synthesized 1,4-dihydropyridine molecules: In this
project, we are investigating the regulation of apoptosis by activation/ inactivation of SIRT1 in several cancer
cells using a series of newly synthesized 1,4-dihydropyridine molecules.
Characterization of circular RNAs in different human cancer lines: Here, we study the differential
expression of non-coding circular RNAs in different human cancer lines which can be further used as suitable
Database on enzyme Dehydrogenage: Actively participated in developing the database on enzyme
2017 (THESIS TITLE: STUDY OF HUMAN SHAKER TYPE VOLTAGE GATED POTASSIUM
CHANNELS USING COMPUTATIONAL APPROACHES).
with 75.5% in the year 2007.
Mohan University, securing 62.25%, in 2005.
West Bengal, India (Coordinator: Dr. Angshuman Bagchi).
of Kalyani from February, 2011 to February, 2017 (Supervisor: Prof. Alpana Seal).
to February, 2011 (Coordinator: Prof. Alpana Seal).
Mahatma Gandhi Institute of Medical Sciences from October, 2007 to March, 2008.
1. Chakraborti, S., Sarkar, J., Bhuyan, R., Chakraborti, T. Role of catechins on ET-1 induced stimulation
of PLD and NADPH oxidase activities in pulmonary smooth muscle cells: Determination of the probable mechanism
by molecular docking studies. Biochemistry and Cell Biology. https://doi.org/10.1139/bcb-2017-0179
2. Chakraborti, S., Sarkar, J., Bhuyan, R., Chakraborti, T. (2017). Role of curcumin in PLD activation by
Arf6-cytohesin1 signaling axis in U46619 stimulated pulmonary artery smooth muscle cells. Molecular and
Cellular Biochemistry. https://doi.org/10.1007/s11010-017-3117-7
3. Verma, R., Yadav, M., Pradhan, D., Bhuyan, R., Aggarwal, S., Nayek, A., & Jain, A. K. (2016). Probing
binding mechanism of interleukin-6 and olokizumab: in silico design of potential lead antibodies for autoimmune
and inflammatory diseases. Journal of Receptors and Signal Transduction, 1-16.
4. Bhuyan, R., & Seal, A. (2016). Dynamics and modulation studies of human voltage gated Kv1. 5 channel.
Journal of Biomolecular Structure and Dynamics, 1-19.
5. Bhuyan, R., & Seal, A. (2015). Molecular dynamics of Kv1. 3 ion channel and structural basis
of its inhibition by scorpion toxin-OSK1 derivatives. Biophysical chemistry, 203, 1-11.
6. Saba, N., Bhuyan, R., Kumar Nandy, S., & Seal, A. (2015). Differential Interactions of Cytochrome
P450 3A5 and 3A4 with Chemotherapeutic Agent-Vincristine: A Comparative Molecular Dynamics
Study. Anti-Cancer Agents in Medicinal Chemistry (Formerly Current Medicinal Chemistry-
Anti-Cancer Agents), 15(4), 475-483.
7. Bhuyan, R., & Seal, A. (2015). Conformational Dynamics of Shaker-Type Kv1. 1 Ion Channel
in Open, Closed, and Two Mutated States. The Journal of membrane biology, 248(2), 241-255.
8. Bhuyan, R., Nandy, S. K., & Seal, A. (2015). An in silico structural insights into Plasmodium
LytB protein and its inhibition. Journal of Biomolecular Structure and Dynamics, 33(6),1198-1210.
9. Nandy, S. K., Bhuyan, R., & Seal, A. (2013). Modelling family 2 cystatins and their interaction
with papain. Journal of Biomolecular Structure and Dynamics,31(6), 649-664.
10. Nandy, S. K., Bhuyan, R., & Seal, A. (2012). DB Dehydrogenase: an online integrated structural
database on enzyme dehydrogenase. Bioinformation,8(20), 1000-1002.
1. Bhuyan, R., & Seal, A. Exploration and validation of diphosphate-based Plasmodium
LytB inhibitors using computational approaches. (Communicated)
2. Manna, D., Bhuyan, R., Saikh, F., Ghosh, S., & Ghosh R. Novel 1,4-dihydropyridine induces
apoptosis in human cancer cells through Sirtuin1. (Communicated)
3. Kochhar, A., Khan, N. S., Pradhan, D., Bhuyan, R., Jena, L., Sahu, T. K., & Jain, A. K. Protein -
Protein interaction and in silico mutagenesis studies on IL17A and its peptide inhibitor. (Communicated)
Conference publications/ Invited lectures
1. Rajabrata Bhuyan. Studying protein-ligand interactions using MD Simulation by GROMACS
(Invited lecture). At “19th Workshop on Computational & Structural Bioinformatics, January
9 - 10, 2017”, organized by Mahatma Gandhi Institute of Medical Sciences, Sevagram during
9th – 10th, January, 2017.
2. Rajabrata Bhuyan & Alpana Seal. Conformational dynamics of Shaker-Type Kv1.1 ion channel
in open, closed, and two mutated states (Poster). In 13th conference of Asian Crystallographic
Association Meeting (AsCA 2015), held at Science city, Kolkata, held during 5th– 8th, December, 2015.
3. Suman K. Nandy, Rajabrata Bhuyan & Alpana Seal. Structural Dynamics Investigation of Human
Family 1 & 2 Cystatin-CathepsinL1 Interaction: Comparison of Binding Modes (Poster). In 13th
conference of Asian Crystallographic Association Meeting (AsCA 2015), held at Science city,
Kolkata, held during 5th– 8th, December, 2015.
4. Nikhat Saba, Rajabrata Bhuyan, Suman Kumar Nandy and Alpana Seal. Differential interactions of
Cytochrome P450 3A5 and 3A4 with chemotherapeutic agent-vincristine (Poster). In 13th conference
of Asian Crystallographic Association Meeting (AsCA 2015), held at Science city, Kolkata, held
during 5th– 8th, December, 2015.
5. Rajabrata Bhuyan & Alpana Seal. Molecular dynamics of Kv1.3 ion channel and structural basis of
its inhibition by Scorpion toxin-OSK1 derivatives (Poster). In India-Bangladesh Structural Chemistry
Conference, organized by IISER Kolkata, during 18th &19th September, 2015.
6. Rajabrata Bhuyan & Alpana Seal. A structural investigation on Plasmodium LytB protein and its
inhibition (Oral). In Annual Conference of Indian Biophysical Society entitled “Molecular Architechure,
Dynamics and Assembly in Living Systems” held at SINP, Kolkata, vol-1, p-45, during 7th – 10th
7. Rajabrata Bhuyan. MD Simulation using GROMACS (Invited lecture). At “16th Workshop on
Biomedical Informatics and applied Tools & Techniques”, organized by Mahatma Gandhi Institute
of Medical Sciences, Sevagram during 2nd - 3rd, December, 2013.
8. Rajabrata Bhuyan, Suman Kumar Nandy & Alpana Seal. DB Dehydrogenase: an online integrated
structural database on enzyme dehydrogenase (Oral). In National conference on “Bioinformatics:
Role of Bioinformatics in biodiversity management”, organized by NBRI, Lucknow, vol-1, p-20,
on 2nd Feb 2013.
9. Rajabrata Bhuyan, Suman Kumar Nandy, & Alpana Seal. Structural and functional studies of
LytB protein of Plasmodium falciparum 3D7 using computational approaches (Poster). In
National conference on “Bioinformatics: Challenges in the post-genomic era”, held at University
of Jammu, vol-1, p- 90-91, on 2nd February, 2012.
10. Suman Kumar Nandy, Rajabrata Bhuyan, & Alpana Seal. Modeling Family 2 Cystatins and their
interaction with Papain (Poster). In National conference on “Bioinformatics: Challenges in the
post-genomic era”, held at University of Jammu, vol-1, p- 92, on 2nd February, 2012.
11. Rajabrata Bhuyan. PHYLIP: An easy access for phylogeny analysis (Oral). In National
workshop on “Bioinformatics in Evolutionary Studies”, organized by BIF Centre, University of
Kalyani, held during 23rd - 26th February 2010.
12. Rajabrata Bhuyan, Satish Kumar and B. C. Harinath. Virtual Reality: Robots Replacing
Clinicians (Poster). In National Conference on “Health Care Biotechnology”, organized by
ICBio at IISc, Bangalore, during 20th & 21st April, 2007.
13. Rajabrata Bhuyan. Stemcell Therapy: the Sensation of Current Medical Research (Poster).
In “International Symposium on Stem Cell”, held at IMGENX, Bhubaneswar on 27th and 28th December, 2005.
Workshops/ Conferences attended only
1. National symposium on “Oxidative Stress In Health and Disease” organized by Department
of Biochemistry & Biophysics, University of Kalyani, during 30th – 31st, March, 2017.
2. National workshop on “Introduction to Next Generation Sequencing”, organized by BIF
Centre, University of Kalyani, during 9th – 11th, November, 2016.
3. National seminar series on “Current Trends on Modern Biology Research in Health and
Disease”, organized by Department of Biochemistry & Biophysics, University of Kalyani, held on
29th February, 4th & 5th March, 2016.
4. National workshop on “In-silico Analysis on Mutations” on 16th December, 2015 organized by
BIF Centre, University of Kalyani.
5. National “CoE Workshop on Biomolecular Interactions”, organized by National Centre for Biological
Sciences (NCBS), Bangalore, during 25th -28th, November, 2015,
6. National Seminar on “Interdisciplinary Approaches in Science, Humanity and Culture” during 28th
and 29th May, 2014, organized by University of Kalyani.
7. National Symposium on “Trends in cellular Biochemistry & Biophysics”, October 5th - 6th, 2010,
Department of Biochemistry & Biophysics, University of Kalyani.
8. “International Symposium on Computational Biology and Bioinformatics” held at Swasti Plazza,
Bhubaneswar on 15th - 17th December 2006.
9. “National workshop on “Medical Informatics” held at JBTDRC, Mahatma Gandhi Institute of
Medical Sciences, Sevagram, Maharashtra in 1st and 2nd December 2006.