About the Bioinformatics Centre

The Bioinformatics Infrastructure Facility (BIF), setup in the year 2007 with the financial support from Department of Biotechnology (DBT), Government of India, New Delhi under the Biotechnology Information System Network (BTIS) program, is well equipped with various hardwares & softwares. Since its inception, the BIF centre has conducted a total of 18 short term training programmes / workshops and a total of 11 long term training/project work, of 3-4 months duration each, during which a total of 405 persons belonging to students, teachers and researchers were trained in the area of bioinformatics. The Bioinformatics Center at Lucknow University has been recognized by Government of Uttar Pradesh, Department of Higher Education as Center of Excellence in Bioinformatics (COEBI) in the year 2010. With generous financial support under the scheme our center has been upgraded /enriched with regards to both hardwares and softwares. Centre is also actively involved in conducting research pertaining to the area of lignin metabolism, screening of plant secondary metabolites for their potential therapeutic applications as anti-inflammatory, anti-cancerous, cardioprotective and neuroprotective molecules. In addition, a database for secondary metabolites is also being developed.


Area of Specialization:

Research pertaining to the area of lignin metabolism and screening of plant derived secondary metabolites for their potential therapeutic applications as anti-inflammatory, anti-cancerous, cardioprotective and neuroprotective molecules against various diseases using techniques like molecular docking, QSAR and molecular dynamics simulation.

One of the major objectives of the center is to popularize the application of Bioinformatics by organizing training programs and conducting Seminars/Workshops for Teachers/Scientists/ Research Scholars/ Students, which is being conducted on a regular basis. In addition, center is actively involved in conducting research on Computational Biology, Molecular Modeling, Comparative Genomics, Proteomics and Database Development.

Current area of research
  • Molecular docking and 3D-QSAR based virtual screening of flavonoids as potential aromatase inhibitors against estrogen-dependent breast cancer.
  • Molecular docking and ADMET based screening for DNA topoisomerase directed anticancerous alkaloids.
  • Molecular docking based screening of selected terpenoids and flavonoids as potential therapeutic agents against acetylcholine esterase (ACE), beta amyloid and myloperoxidase, respectively. 
  • Screening and identification of plant derived secondary metabolites (alkaloids, flavonoids and terpenoids) as anticancerous therapeutic agents directed against topoisomerases.
  • Molecular docking and dynamics simulation studies on plant and fungal laccases predicting their role in lignin biosynthesis and degradation, respectively.
Databases/applications developed
Database of Secondary Metabolites (under preparation)

Digital Database of Medicinal Metabolites (DDMM) contains detailed information about secondary metabolites found in plants and marine sources. The secondary metabolites having medicinal importance have been categorized in four major groups: Alkaloids, Terpenoids, Flavonoids and Other Metabolites. The major goal of this database is to freely provide collective information about medicinally important secondary metabolites. It is intended to be used for application in metabolomics, multi and single targeted drug designing, lead molecule discovery and clinical information investigation. The database contains medicinal information of over three hundred small molecules of biological interest, gathered from electronic databases, scientific literature and software predictions. Each metabolite entry in DDMM is supported by physical, chemical and structural information and extensive links to their mol files and PDB files along with ADME properties and TOPKAT toxicity predictions.

Home page of Digital Database of Medicinal Metabolites (DDMM)

About the Institution

Lucknow University is the largest and oldest Residential State University in U.P. with about 25,000 students on campus, 7 Faculties and 42 Departments along with over 400 full-time regular teaching faculty and more than150 guest/visiting faculty. It provides about 150 courses including professional courses to students. 120 colleges with over 100,000 students are affiliated under this University. There are ongoing major research programmes in 35 departments with many collaborative/exchange programmes. It is equipped with more than1000 computers with 1Gbps NME-ICT internet connectivity through LAN/Wi Fi and vast library resources including about 7 lakh books , more than 600 journals, INFLIBNET. Distinguished alumni of the University include former President of India Dr. S.D. Sharma, Former Union Cabinet Minister Mr. K.C. Pant, Justice A.S. Anand, Paleobotanist Dr. Birbal Sahani..
Inter Institutional collaboration

Under the collaboration between Amity University Lucknow and Lucknow University Ms. Swati Singh, DST INSPIRE JRF has been registered for Ph. D programme.

Achievements at a glance
  • Since the establishment of BIF center, about 405 persons, belonging to student, researcher and faculty were trained.
  • 11 project works/dissertation of 3-4 months duration each were carried out.
  • 8 research papers published in International journals.
  • 2 research papers communicated in International journals.
  • 1 research paper published in National journal.
  • 5 papers presented in international while that of 17 in national seminars/ symposia/conferences.
Infrastructure facilities


Computer and Communication Facility
  • Windows server (2 in numbers); HP desktop system (15 in numbers, 500 GB hard disk, 4GB RAM); scanner, inkjet & laser printer (color & B/W); photocopier; power backup UPS; with 1Gbps NME-ICT internet connectivity through LAN/Wi Fi. Additional 35 Desktops are also provided under COEBI support.
Scientific software packages (commercial) under COEBI
  • Discovery studio, Bio-suite, Exome Horizon, DNA Star, MATLAB, Visual studio, SQL server.
  • Statistical Software for data analysis (Sigma Plot-12).
Recent publications


Identification of Acetylcolinesterase Targeted Novel Alkaloids as Potential Therapeutic Agent for Alzheimer’s disease: An in Silico Approaches. Huma Naaz, Swati Singh, Veda P. Pandey, Priyanka Singh, and Upendra N. Dwivedi. Ind. J. Biochem. & Biophy. 2013, 50, 120-125.

Structure-function analyses and molecular modeling of caffeoyl–O- methyl transferase (COMT) and caffeoyl–CoA-O- methyltransferase (CCoAOMT): Revisiting the basis of alternate methylation pathways during monolignol biosynthesis. Huma Naaz, Veda P. Pandey, Swati Singh and Upendra N. Dwivedi. Biotechnology and Applied Biochemistry. 2013, 60, 170-189.

Structural modeling and simulation studies of human cyclooxygenase (COX) isozymes with selected terpenes: Implications in drug designing and development. Swati Singh, Huma Naaz, Veda P. Pandey, Priyanka Singh, and Upendra N. Dwivedi. Computers in biology and medicine. 2013, 43, 744-750.

Papaya fruit ripening: ROS metabolism, gene cloning, characterization and molecular docking of peroxidase. Veda P. Pandey, Swati Singh, Nivedita Jaiswal, Manika Awasthi, Brijesh Pandey, Upendra N. Dwivedi. Journal of Molecular Catalysis B: Enzymatic. 2013, 98, 98-105.




Prof. U.N. Dwivedi


Department of Biochemistry, Lucknow University, Lucknow-226007

Phone Number







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