DTC_Intro_KRoy.mp4Drug Theoretics and Cheminformatics (DTC) Laboratory, Department of Pharmaceutical Technology. Jadavpur University, India is involved in computational research for developing predictive models using Quantitative Structure-Activity/Property/Toxicity Relationship (QSAR/QSPR/QSTR) and Read-across approaches with application in Drug Design, Predictive Toxicology, and Materials Science. [Profile information updated on 16 September 2023]
PDRA/PhD Scholars
Vinay Kumar, ICMR RA
Vinay Kumar (SCOPUS; ORCID) completed his B. Pharmacy (2015) from Dr. APJ Abdul Kalam Technical University Lucknow (UP), M.S. in Pharmacy (2017) degree from NIPER, Kolkata (WB), and Ph.D. (Pharmacy) (2023) from Jadavpur University Kolkata (WB). He qualified Graduate Pharmacy Aptitude Test in 2015. He has been awarded SRF from DAE-BRNS (2018) and ICMR (2019) and also received Research Associateship from ICMR (2022). He has experience in QSAR, Chemometric modeling studies, Protein-Protein interaction network analysis, Molecular Modeling and Computer Aided Drug Design for almost five years with special reference to the development of novel inhibitors against Neurodegenerative Disorders. He has published 26 Research and Review articles and 4 Book chapters in various peer-reviewed journals to date. He has showcased his research at various national and international conferences, earning recognition and support from esteemed organizations. Notably, he received an international travel bursary from the Heidelberg Institute for Theoretical Studies (HITS) in Germany to facilitate his participation in an International Conference (EuroQSAR2022). He also serves as a peer reviewer for several scientific journals. At present, he is actively working as a Research Associate (RA)-ICMR in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata (WB).
Mainak Chatterjee, AICTE NDF
Mainak Chatterjee (Scopus ID: 57221202808; ORCID; LinkedIn) completed his B.Pharm degree from Guru Nanak Institute of Pharmaceutical Science and Technology (affiliated with Maulana Abul Kalam Azad University of Technology, Kolkata) in 2016. In the same year, he cracked the national level Graduate Pharmacy Aptitude Test (GPAT) and commenced his M.S. (Pharm) in Medicinal Chemistry from NIPER, S.A.S. Nagar. The research area during his M.S. was synthetic organic chemistry. After successful completion of M.S. (Pharm) in 2018, he joined the Global College of Pharmaceutical Technology as an Assistant Professor. In 2019, he got the National Doctoral Fellowship (NDF) from AICTE and joined the Drug Theoretics and Cheminformatics Laboratory at Jadavpur University, Kolkata as a PhD Research Scholar under the guidance of Dr Kunal Roy. Mainak’s research involves toxicity prediction of various chemical mixtures e.g., Pharmaceuticals, nanomaterials, cosmeceuticals, and various environmental toxicants with QSAR, read-across, and RASAR models using various chemoinformatics tools. He received an international travel grant from the Heidelberg Institute of Theoretical Studies for presenting one of his research works at the 23rd EuroQSAR in Heidelberg, Germany on 26-30 September 2022. He also published scientific articles in renowned journals like the Journal of Hazardous Materials, Chemosphere, Environmental Science: Nano, Current Pollution Reports etc. from his research.
Joyita Roy, ICMR SRF
Joyita Roy (ORCID; LinkedIn; SCOPUS) completed her Bachelor of Pharmacy (2017) from Gupta College of Pharmaceutical and Technological Sciences, Asansol. In the same year, she qualified national level Graduate Pharmacy Aptitude Test (GPAT) and joined the Masters of Pharmacy in Pharmaceutical Chemistry from Jadavpur University, Kolkata under the supervision of Dr. Kunal Roy. She was awarded a Senior Research Fellowship (SRF) by the Department of Atomic Energy-Board in Nuclear Sciences (DAE-BRNS) and later by the Indian Council of Medical Research (ICMR). Her research interest includes molecular modelling of toxicity and ecotoxicity of engineered nanoparticles. She has published 12 research articles in different referred journals to date. Her expertise lies in the development of computational models for designing engineered nanoparticles that are safer for humans and the environment. She has been awarded with international travel grant from the Heidelberg Institute of Theoretical Studies for presenting one of her research works at the 23rd EuroQSAR in Heidelberg, Germany on 26-30 September 2022.
Arkaprava Banerjee, LSRB DRDO Fellow
Arkaprava Banerjee (ORCID; SCOPUS; LinkedIn) is a Researcher (funded by the Life Sciences Research Board, DRDO, Govt. of India) working at the Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata. Mr. Banerjee has eleven research articles published in reputed journals and one book chapter with overall citations of 105 and an h-index of 6 (Scopus). His ORCID identifier is 0000-0001-8468-0784, His expertise lies in the similarity-based cheminformatic approaches like Read-Across and Read-Across Structure-Activity Relationship (RASAR) – a novel method that combines the concept of QSAR and Read-Across. Mr. Banerjee is also a Java programmer, who has developed various cheminformatic tools based on QSAR, Read-Across and RASAR, and the tools are freely available from the DTC Laboratory Supplementary Website. He received Prof. Anupam Sengupta Bronze medal from Jadavpur University for securing the highest marks in Pharmaceutical Chemistry in MPharm Examination. He has also received a special diploma awarded by the Institute of Biomedical Chemistry, Moscow, Russia. He received an International Travel Grant from ASCCT, USA for attending QSAR2023 conference in Copenhagen, Denmark. Together with Prof. Kunal Roy, he has been one of the first researchers to develop quantitative models using similarity and error-based descriptors (quantitative/classification Read-Across Structure-Activity Relationship: q-RASAR/c-RASAR models) with applications in drug design, materials science, and property modeling.
He is a FIDE-rated chess player with an ELO rating 1592, and he stood 5th in the Howrah District Chess Championship 2020.
Sapna Kumari Pandey, ICMR SRF
Sapna Kumari Pandey (LinkedIn) completed her graduation (B.Pharm. 2018) from the N.S.H.M. Knowledge Campus Kolkata Group of Institutions. In the same year, she qualified for the Graduate Pharmacy Aptitude Test (GPAT) and did her post-graduation (M.Pharm. 2020) from Jadavpur University under the supervision of Dr. Kunal Roy. After that, she joined Sister Nivedita University as an Assistant Professor. She has published two research articles in peer-reviewed journals during her master's. Presently, she is working on read-across-based methodologies for various toxicity and eco-toxicity end-point predictions for pharmaceuticals as a registered PhD research scholar under prof. Dr. Kunal Roy, Jadavpur University.
Masters students
Souvik Pore
Souvik Pore (SCOPUS ID 58149772600) completed his bachelor’s degree in the field of Pharmacy in 2021 from Jadavpur University, Kolkata. After that he is now currently pursuing a master's degree in pharmaceutical chemistry from Jadavpur University under the guidance of Prof. Kunal Roy. Within this course, he is working with chemometric modelling of power conversion efficiency of organic dyes used in dye sensitized solar cells.
Shilpayan Ghosh
Shilpayan Ghosh completed his Bachelor of Pharmacy (2021) from NSHM knowledge campus, Kolkata. In the same year, he qualified national level Graduate Pharmacy Aptitude Test (GPAT) with AIR-361 and joined the Masters of Pharmacy (2021) with Pharmaceutical Chemistry as specialization in Jadavpur University, Kolkata under the supervision of Dr. Kunal Roy. During this course, his research includes q-RASPR modelling of retention time of pesticides as well as q-RASAR modelling of aquatic toxicity of organic pesticides to various fish species. His first research topic " q-RASPR modelling of retention time of pesticides" has published on Journal of Agricultural and Food Chemistry, ACS publications (https://doi.org/10.1021/acs.jafc.3c01438).
Shubham Kumar Pandey
Shubham Kumar Pandey completed his B.Pharm from CSJMU, Kanpur formerly known as Kanpur University, in the year 2022. In the same year he qualified National level, Graduate Pharmacy Aptitude Test (GPAT) and pursuing his M.Pharm (Pharmaceutical Chemistry) from Jadavpur University, Kolkata under the supervision of Dr. Kunal Roy. Currently he is working on “Property prediction of energetic materials”.
Doelima Bera
Doelima Bera completed her B. Pharm degree from School of Pharmaceutical Sciences, Siksha ‘o’Anusandhan Deemed to be University, Bhubaneswar, Odisha in 2022. In the same year, she qualified national level Graduate Pharmacy Aptitude Test(GPAT) and further proceeded to do her M. Pharm in Pharmaceutical Chemistry from Jadavpur University, Kolkata under the supervision of Dr. Kunal Roy. Currently she is working on the classification analysis of bitter and sweet compounds using c-RASAR and Machine Learning strategies. She believes that with the hierarchy of the academic life the topics may get more specific but with a multidisciplinary approach. She is ever curious with the goal to somehow contribute positively to the civilians.
Apart from academics she loves to do Extempore, Recitation and Reflective writing.
Selected Alumni of DTC Lab
Supratik Kar, Kean University, USA
Pravin Ambure, ProtoQSAR, Spain
Dr. Partha Pratim Roy, Guru Ghasidas Vishwavidyalaya, India
Dr. Partha Pratim Roy (ORCID, Publons) is presently working as an Assistant Professor in the Department of Pharmacy, Guru Ghasidas Vishwavidyalaya, Bilaspur, (A Central University), INDIA. He did his B.Pharm, M.Pharm and PhD from Jadavpur University, Kolkata. He has done his M.Pharm and PhD under the supervision of Professor Kunal Roy. He worked as a post-doctoral fellow under the European project CADASTER at the University of Insubria, Italy. His field of interest is “In silico Drug Design, ADME and Toxicity modelling”. Dr. Roy has published several research papers in peer-reviewed journals. His work has been cited more than 2600 times with h-index of-19. Dr. Roy has successfully handled and completed projects from UGC, DST.