Faculty Profile

Dr. Neeta Azad serving as a permanent faculty at chemistry department of Atma Ram Sanatan Dharma College since July 2009. Her area of specialization is physical chemistry and research interest comprises of computational chemistry, insilico study of drug molecules/Molecular Modelling and Drug Design. 

Dr. Neeta Azad

Assistant Professor
Room No. 14,
Dept of Chemistry,

ARSD College
email id: neetaazad@arsd.du.ac.in

Educational Qualification





University of Delhi



University of Delhi



University of Delhi



Panjab University, Chandigarh


Career Profile

  • Teaching Experience: 10 years (Approx.)

My long standing interest has been in Molecular Modelling & drug design and DFT calculations. Presently, I am working as Assistant Professor in university of Delhi for over one decade (2009-present). I am specialized in physical chemistry and teaching various courses related to the field and some interdisciplinary courses as well in the university like industrial chemistry, life sciences etc. I teach students various aspects of computational chemistry and train them on various chemistry software as a part of their course. I did my M.Phil. and Ph.D. in the field of Computational Chemistry under the supervision of Prof. Rita Kakkar, Dept. of Chemistry, University of Delhi. I had worked on inhibiting properties of various PDHK inhibitors, quantitative structure activity relationship was developed for a class of drug molecules and screening of new molecules was done. For the selected molecules DFT calculations were performed. I have taken up a few in house projects and worked on them with undergraduate students to give them an idea to pursue research in future as career.

Areas of Specialization / Interest

Research Areas of Interest:

DFT studies of small molecules, protein-drug interactions, Inhibition and activation properties of various drug molecules, Quantitative structure activity relationship (QSAR) calculations, Virtual screening of new scaffolds for drug molecules their implications and limitations. Conformational search, Tautomeric studies, Transition state calculations.

Fields of specialization:

Physical Chemistry: Quantum Chemistry and spectroscopy, Molecular Modelling and Drug Design. Applications of Computers in chemistry.

Subjects Taught

  • Quantum Chemistry and spectroscopy.
  • Molecular Modelling and Drug Design.
  • Solutions, Phase and electrochemistry.
  • Chemical equilibria.
  • Chemical thermodynamics.
  • Solid, Liquids, Gases.
Research Projects (Major Grants/Research Collaboration)

  1. Building of Future for water: cost effective alternative plan to Yamuna action plan and Ganga action plan, remedial and recovery (IP302) 2015, Funding agency: university of Delhi  
  2. In Silico studies of various ligands used to form chelating complexes with organotin compounds showing antifungal activitiy. (2018), Funding agency: Star College Scheme by Department of Biotechnology, Gov. of India.  
  3. Quantitative analysis and comparison of commercially available antacids in the Indian market (ARSD/IHP/2018-06), Department of Biotechnology Gov. of India. 4. " Different kinds of Basils found in India and their medicinal uses" star College Scheme, 2019.


Publications Profile

  1. Azas N., Kakkar R. Computational molecular docking analysis of Doxifluridine and its metabolites to identify potential hits for PDHK1. (2024). Journal of Molecular Chemistry4(2), 693.

  2. Azad, N., Sharma, N., Arora, E., & Gupta, P. (2024). In silico analysis of interaction of Eugenol, cis-Isoeugenol and Methyl Eugenol with the binding site of spike protein of SARS-CoV19 virus.

  3. Gupta, M., Singh Chauhan, V., Yadav, S., Azad, N., Professor, A., & Professor, A. (2024). Physico-chemical investigation of commercially available honey in Indian market. Www.Ijsdr.Org International Journal of Scientific Development and Research, 9, 570. www.ijsdr.org

  4. Azad, N., Sharma, N., Singh, C., & Ratan, J. (2024). Effect of Cookware Material on the Iron Content in Green Leafy Vegetables. International Journal of Science and Research. 13(1), 1534-38. https://doi.org/10.21275/SR24125224121

  5. Azad, N. (2023). Chapter 4. UV–visible spectroscopy. In Analytical Methods in Chemical Analysis (pp. 59–80). De Gruyter. https://doi.org/10.1515/9783110794816-004

  6. Azad, N., Jahan, A., Singh, C., & Gupta, M. (2022). Taking Care of Environment: The Vedic Way. In Journal of Agroecology and Natural Resource Management (Vol. 9, Issue 1). https://www.krishisanskriti.org

  7. Monica Bhatt, Neeraj Kumar Mishra, Amit Kumar, Neeta Azad, Pratibha Singh & Rajeev Singh (2018) Genetic Pollution: Causes and effects. Everyman's Science, ISSN 0531-495, Vol. 3, 145-148.
  8. Neeta Azad, Mamta Bhandari & Rita Kakkar (2016) Discovery of some potent PDHK inhibitors using pharmacophore modeling, virtual screening and molecular docking studies. J. Biochem. Mol. Biol. Res. 2,139-151.
  9. Rita Kakkar, Neeta Azad & Pragya Gahlot (2012) AZ12 Based Design of PDHK2 Inhibitors. Int. Rev. Biophys. Chem. (IREBIC) 3: 163-167.
Conference Participation / Presentations

  • Paper Presentation at 47th world chemistry congress 2019, Paris, France.
  • Conducted workshop on Molecular Modelling funded by Star College Scheme, Department of Biotechnology, Gov. of India at ARSD College (23rd January, 2018).
  • Invited computer software trainer at Hands-on training and software awareness program (STP-1) from September 14 to September 15, 2015), University of Delhi.
  • Poster presented and winner at Workshop on Molecular Modeling and Drug Design held at Center for Modelling Simulation and Drug Design (CMSD), University of Hyderabad ( August 02 to august 07, 2010).
  • UGC-Sponsored Refresher course in chemistry, Centre for professional development in higher education (ILLL), University of Delhi, December 1 to December 22, 2011.
  • Faculty Development Programme, Guru Angad Dev Teaching learning centre, SGTB Khalsa College, University of Delhi, from 26th November to 7th December 2018. Government of India.
  • India International Science festival-2018, Lucknow, Uttar Pradesh, 5th -8th October 2018.
  • Faculty Development Programme on Sustainable development at ARSD College from 15th to 22 October 2018.
  • Workshop on Scientific writing and communication, 20-21 February, 2017 at ARSD College.
  • Workshop on Electronic Structure, Atomic and Statistical Modeling in chemistry, Material and Life sciences. 8-10 October 2014. Dept. of Chemistry, University of Delhi.
  • 13th ISCB International Conference on interplay of Chemical and biological Sciences- held at dept. of chemistry, university of delhi from 26th feb-1st March,2009.
  • National Workshop on " Role of analytical techniques in industry" by Indian Society of Analytical Scientists (ISAS) Delhi Chapter and Kirori Mal College of Delhi University, Held from21-22 January, 2010.
  • Workshop on computational skills by Institute of Life Long Learning (ILLL), University of Delhi, held at A.R.S.D. College from 3rd-7th January, 2010.
  • National Seminar on Recent Developments in"structure and ligand based drug design" organized by Delhi Institute of Pharmaceutical Sciences and Research (DIPSAR) on Dec.1, 2009.
  • Workshop on Molecular Modeling and Drug Design held at Center for Modelling Simulation and Drug Design (CMSD), University of Hyderabad from 2nd- 7th August, 2010.
  • Workshop on Schrodinger software at the Jamia Hamdar University, Delhi. From 27th to 29th September,2010.
  • Selected to attend 3rd Science conclave going to be held at IIIT-Allahabad from 8th-14th December-2010.