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Dr. Sujata Roy

Assistant Professor
Rajalakshmi Engineering College
Thandalam , Chennai-602105
E-mail:[email protected]/[email protected]

     

Docked structure of Cholinesterase-curcumin complex  before simulation.
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Areas of Study 

Structural Bioinformatics, Computer Aided Drug Design, Next Generation sequence data analysis, Microarray data analysis, Gene Network Analysis

Funded Project: Elucidation of mechanism of Drug resistance Using Network Biology Approach (SERB-TARE) Mentor:Prof. Michael Gromiha ,IIT Madras

Research Collaborations

1. Prof. Gautam Brahmachari , Department of Chemistry, Visva Bharati University,

2. Prof. Basant Kumar Tiwary, Centre for Bioinformatics,School of Life Sciences, Pondicherry University

 

 

 
 

 Publications 

 

  1. Rekha Ravindra, Praveen Kumar PK, Sriram Kumar,Sujata Roy, Sakthi Abbirami Gowthaman, Johanna Rajkumar, Computational Study Reveals PARP1 and P2Y1 Receptors as Prospective Targets of Withaferin-A for Cardiovascular Diseases.Letters in Drug Design and Discovery. (Dec 2021, Accepted) DOI: 10.2174/1570180819666211228103102

  2. Lokesh Kumar1 , Ashasmita S. Mishra1 , Sakkeeshyaa G M1 , Ashoke Ranjan Thakur2 , Sujata Roy1*. A Review of Plastic Degrading Enzymes, Pathways and Organisms:Possible Bioengineering Aspects.,Asian Jr. of Microbiol. Biotech. Env. Sc. Vol 21 (2019, November Suppl.), : S106-S118

  3. Sagar S Bhayye, Gautham Brahmachari, Nayana Nayek, Sujata Roy and Kunal Roy. (2020) Target Prioritization of Novel Substituted 5-aryl-2-oxo-/thioxo-2,3-dihydro-1H-benzo[6,7]chromeno[2,3-d]pyrimidine-4,6,11(5H)-triones As Anti-cancer Agents Using In-silico Approach, Journal of Biomolecular Structure and Dynamics.  38 (5), 1415-1424

  4. Susmita Roy1, Sujata Roy1, Vineet Vishal2, Sonia Bansal2 , Sayak Ganguli3* and Pratiti Ghosh4. Comparative Study of Plant Derived Natural Compounds and Established inhibitors of P-Glycoprotein of Mouse and Human Using Molecular Docking.(2018) International Journal of Pharmacy and Biological Sciences. Vol 8. Issue 3, 228-233.

  5. Rekha Ravindran1‡,Sriram Kumar1‡Johanna Rajkumar1,Sujata Roy1,Sekar Sathiya2, Chidambaram Saravana Babu2 and Mohammad Javed Equbal3*. (2018) Inhibition of PKCβ Mediates Cardioprotective Activity of Ambrex against Isoproterenol-Induced Myocardial Necrosis: in vivo and in silico Studies. Vol 10,Issue 4, DOI: 10.4172/0974-8369.1000442

  6. Vijaya Geetha, Roy Sujata, K. Subramaniyan Shreenidhi,T.R. Sundararaman*. Histopathological and HPLC Analysis in the Hepatic Tissue of Pangasius sp. Exposed to Diclofenac. Pol. J. Environ. Stud. Vol. 27, No. 6 (2018), 1-6. DOI: 10.15244/pjoes/75829

  7. Sriraman, S., Saha, N.G. and Roy, S. (2017) ‘Interaction of curcumin with different target proteins  of Alzheimer’s disease: docking and MD simulation studies’, Int. J. Computational Biology and Drug Design, Vol. 10, No.4, pp.315–330. DOI: 10.1504/IJCBDD.2017.10009070

  8. Rekha R; Sharma; N;Roy S; Thakur,  A. R.; Subhadra G;  Sriram K; Jamuna Devi, Johanna R. (2015) Interaction studies of Withania somnifera’s key metabolite Withaferin A with different receptors associated with cardiovascular disease. Current Computer Aided-Drug Design. 11(3), 212-221.DOI: 10.2174/1573409912666151106115848

  9. Bhattacharya, S; Haldar, S; Roy,S;  Giri,B;  Das Gupta,S; Bhattacharya, R & Ghosh,P, (2014) Pretreatment with Pyridostigmine Bromide Does not Induce Cellular Toxicity. Advances in Life Sciences 2014. 4(5): 220-226.

  10. DebRoy S, Mukherjee P, Roy S, Ranjan Thakur A, Ray Chaudhuri S. 2013. Draft genome sequence of a nitrate- and phosphate-removing Bacillus sp., WBUNB009.Genome Announc. 1(1):e00254-12

  11. DebRoy S, Mukherjee P, Roy S, Thakur AR, Ray Chaudhuri S. 2013. Draft genome sequence of a phosphate-accumulating Bacillussp., WBUNB004. Genome Announc.1(1):e00251-12.

  12. Majumder R1, Roy S, Thakur AR. Analysis of Delta-Notch interaction by molecular modeling and molecular dynamic simulation studies.Journal of Biomolecular Structure and Dynamics. 2012;30(1):13-29.

  13. Roy S and Thakur, A. R. 20ns molecular dynamics simulation of the Antennapedia homeodomain-DNA complex: water interaction and DNA structure analysis. Journal of Biomolecular Structure and Dynamics. 2010.27,443-456.

  14. Roy S and Thakur, A. R. Two models of Smad4 and Hoxa9 Complex are proposed: structural and interactional perspective. Journal of Biomolecular Structure and Dynamics. 2011. 28. 729-42.

  15. Roy, S and Sen S, (2006) Exploring the potential of complex formation between a mutant DNA and the wild type protein counterpart: A MM and MD simulation approach, J. of Mol Graph. and Mod, 25, 158-168.

  16. Roy S and Sen S. Homology Modeling based solution structure of Hoxc8-DNA complex: role of context bases outside TAAT stretch. Journal of Biomolecular Structure and Dynamics,2005, 22, 707-718.

  17.  Biswas D, Roy S  and Sen S. A Simple Approach for Indexing the Oral Drug-likeness of a compound: discriminating Drug-like compounds from Nondrug-like ones. Journal of Chemical Information and Modeling, 2005, 46 1394-1401.

Book Chapter

 1. Sandhyaa, S; Sujata Roy; Ashoke Ranjan Thakur. Comparative Structural Analysis Of Spo0F And Spo0B Like Protein Involved In Phosphotransfer Pathway In New Bacterial Species Mcc0008. Editor Dr. Shaon Raychaudhuri. 'Life Science: Recent Innovation And Research; Delhi, India, International Research Publication House (IRPH).

2. Sujata Roy & Ashasmita S. Mishra, “Cardiovascular Disease: A systems Biology Approach" ‘Frontiers in Cardiovascular Drug Discovery’ Vol-5, 234-249, Edited by Atta-ur-Rahman and M.Iqbal.Choudhary, Published by Bentham Science Publishers Pte Ltd,Signapore

 

Recent Conference Papers:

  1. Nitika Sharma, Rekha Ravindran, Sujata Roy. Elucidation of mechanism associated with the beta- 1 adrenergic receptor suppression by withania  somnifera’s key metabolite withaferin A. National Seminar on Recent Trends in Medical Biotechnology' held at Dr.M.G.R. Educational & Research Institute. on 21st July 2012.
  2. Shraddha, S, Preeti  L, Sambavi. Sujata Roy. Interaction studies of  Curcumin with five different target receptors  associated with Alzheimer's disease. Recent Advances in Computational Drug Design at IISc Bangalore. 16th-17th September 2013.
  3. Sandhaya S, a. Sujata Roy, a  Ashoke Ranjan Thakur,b and Shaon Raychaudhuric . Modeling of four different conformational state of spo0F like protein involved in Phosphotransfer Pathway in  MCC0008 (Sample A). Recent Advances in Computational Drug Design at IISc Bangalore. 16th-17th September 2013.
  4. Sandhayaa S, Sujata Roy,Ashoke Ranjan Thakur, Comparative Structural Analysis of Spo0F and Spo0B Like Protein involved in Phosphotransfer Pathway in MCC008. 3rd IIT Madras – Tokyo Tech Joint Symposium on “Algorithms and Applications of Bioinformatics.  5th–6th November, 2015. IC&SR Auditorium, IIT Madras IC&SR Auditorium, IIT Madras, Chennai. (Poster Presented).
  5. Gayathri  A; Nivetha Shree  N; Sujata Roy Molecular Docking based virtual screening of NCI-database to discover dual HER1 (EGFR) ,HER2 tyrosine kinase inhibitor: Comparison with known inhibitors. Sixth International Conference on Metals in Genetics, Chemical Biology and Therapeutics (ICMG-2016).  Indian Institute of Science, Bangalore, India 17th -20th , Feb. 2016. 
  6. Lokesh Kumar V, Sujata Roy.In-silico Diversity analysis of Plastic Degrading Micro-organism. Sixth International Conference on Metals in Genetics, Chemical Biology and Therapeutics (ICMG-2016).  Indian Institute of Science, Bangalore, India 17th -20th , Feb. 2016
  7. Sujata Roy, Basant K. Tiwary. Analysis of Gene Network and Application of Barabasi-Albert model to find out the core genes involved in Glaucoma. EMBL–Wellcome Genome Campus Conference, “Big Data in Biology and Health 2016” EMBL Heidelberg, Germany 25th  - 27th  Sep 2016. 
  8. Akshaya,R1; Gayathri,K1; Subinoy Biswas2; Sujata Roy1*.Studies of Overlapping Gene Network of Retinoblastoma, Alzheimer's disease, Parkinson's disease and Skin Cancer.4th IIT Madras – Tokyo Tech Joint Symposium on “Algorithms and Applications of Bioinformatics.  10th–11th November, 2017. IC&SR Auditorium, IIT Madras IC&SR Auditorium, IIT Madras, Chennai. (Poster Presented).
  9. Sujata Roy1, Mainak Chakraborty2, Vineet Vishal2, Sonia Bansal2, Sayak Ganguli3 and Pratiti Ghosh*4Interactions of Aloe vera, Tinospora cordifolia and Ocimum sanctum with P-glycoprotein: In-silico studies (Oral Presentation). 38th National conference of Indian Association of Biomedical Scientists (IABMS) Conference on “An insight into biomedical research for human health”. 23rd to 26th Nov. 2017, DEPARTMENT OF PHYSIOLOGY, SAVEETHA MEDICAL COLLEGE HOSPITAL, Thandalam, Chennai.
  10. Ashasmita S. Mishra and Sujata Roy. Possible Mechanism of Drug Resistance in Breast Cancer - A Gene Network Approach. ( Poster Presentation). Incob 2018. 17th International Conference on Bioinformatics 26-28 September, 2018. Jawaharlal Nehru University, New Delhi, India.

Travel Grants:

  1. DBT Travel grant was awarded to deliver a lecture in BCBGC08, Orlando,Florida.USA.
  2.  EMBL Corporate Partnership Programme Travel Grant had been granted to present a poster in a EMBL–Wellcome Genome Campus Conference, “Big Data in Biology and Health 2016”  EMBL Heidelberg, Germany, 25 - 27 Sep 2016

Consultancy Capability: Key Strengths

Virtual Screening:

 Virtual screening is a computational technique that is used to identify potential hits for evaluation in primary assays for drug discovery. It involves a series of rapid in silico assessment of large libraries of chemical structures to identify those structures that would most likely be active as a drug against a target. The Computational Biology Lab at Rajalakshmi Engineering College  is well equipped to render virtual screening services to enable increased success rates for lead, seeking through, to enhance ligand-based and  structure-based virtual screening capabilities using the state-of-the-art computational approaches.

 In-silico Biomarker Discovery:

Biomarkers are the important molecules that aid in identification and lead to discovery of signature dysregulations in the molecular mechanisms involved in the cell, tissue functions and phenotypes associated with disease. This can be achieved through studies based on gene network analysis from microarray data or transcriptome data.

 

 

 
 

PhD Student:

Ashasmita Mishra

 

Asha Photo

 Project Students:

2013-2014

  

Sandhyaa S.

Project: Modeling of four different conformational states of spo0F like protein involved in Phosphotransfer Pathway in  MCC0008


 

Shraddha  Sri. (B.Tech)

Project:Interaction of Curcumin with Different Target Proteins of Alzheimer’s Disease: Docking and MD Simulation Studies

 

 

2014-2015

 

Lokesh Kumar VA (M.Tech)

Project: Analysis of Diversity in Plastic Degrading Microorganisms:in-silico Approach

 

 

 

                       Anamika Singh (M.tech)

                      Project: Interaction of Withaferin A with Different Target proteins associated with      Cardiovascular Disease.

 

Gayathri A (B.Tech)

Project: Molecular Docking Based Virtual Screening of NCI-database to discover dual, HER1 and HER2 tyrosine kinase inhibitor


 

                             Nivetha Shree (B.Tech)

                             Project: Molecular Docking Based Virtual Screening of NCI-database to discover

                                      dual, HER1 and HER2 tyrosine kinase inhibitor

 2015-2016          Pavithra C. Indiran (B.Tech) & T Preethi Agnes (B.tech)

                            Project: Computational Analysis of CRISPR-Cas3 System

 

  
 

 

 

  
     

 

Molecular Docking based virtual screening of NCI-database to discover dual HER1 (EGFR) ,HER2 tyrosine kinase inhibitor: Comparison with known inhibitors

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