Deepak O. M. currently serves as Assistant Professor in Chemistry, Department of Sciences, School of Engineering, Coimbatore Campus. His areas of research include Computational Chemistry, Solid-State NMR Spectroscopy.

He  interested in and teach subjects such as Quantum Chemistry, Group Theory in Chemistry, Molecular Spectroscopy, Statistical and Irreversible Thermodynamics, Computational Chemistry;- especially for PG students.

His Research Group [APPLIED THEORETICAL CHEMISTRY RESEARCH GROUP (ATCRG)], currently focuses on application of theoretical methods to solve problems of chemical interest.

Affiliation(s) :

  • Assistant Professor (Sr.Gr), Department of Sciences- Chemistry, Amrita VishwaVidyapeetham, Amritanagar Campus, Ettimadai, Coimbatore, Tamilnadu


  • 2000: MSc Chemistry
    Bangalore University
  • June 2001: CSIR UGC NET – Chemical Sciences


Year Affiliation
2012 August – till now Assistant Professor (Senior Grade)
Department of Sciences-Chemistry, Amrita VishwaVidyapeetham, Amritanagar Campus, Ettimadai, Coimbatore
2011 July – 2012 July Assistant Professor
Department of Sciences-Chemistry, Amrita VishwaVidyapeetham, Amritanagar Campus, Ettimadai, Coimbatore
October, 2004 – June, 2011 Assistant Professor
Department of Chemistry, Amrita VishwaVidyapeetham, Amritapuri Campus, Kerala
October 2001 to October 2004 Junior Chemist [Research]
Analytical services Group, Research & Development Department, Asian Paints India LTD, MUMBAI
June, 2000 to March, 2001 Lecturer (Guest)
Department of Chemistry,  NSS College, Ottapalam, University of Calicut.

Research Interest

  • Area of Interest
    • Interest 1: Theoretical / Computational Chemistry
    • Interest 2: Molecular Spectroscopy
    • Interest 3: Chemistry of Emotions
  • Research Group
      Currently we work on application of theoretical methods to solve problems of chemical interest’
  • Present Team: PG Students
    SreelakshmiVenu Theoretical Investigations to design ‘special effect pigments’
    Siddharth E K
  • Past Members: PG Students
    1 Swaroop C Semi-Empirical Investigations to Compute the Trends of Variation in Near-Infrared Reflectance as a Function of Doping Stoichiometry in Mixed-Metal Oxides 2018
    2 Mahesh V K Relating the Emotions Induced by Musical Patterns (Indian-Carnatic) With the Release of Dopamine - A Theoretical Analysis 2020
    3 SarthakMohanthi Theoretical Investigations on Near-Infrared Reflectance Behaviour of
    Neodymium-Doped Yttrium Molybdate
    4. DebasmithaOhja Pyrochemical synthesis of MMO Pigmants 2016 (UG exit option)

Teaching :

  • Teaching- PG Level: 2008 onwards
  • Teaching - UG level: 2004 onwards
SI. No. Course code Course Content UG/PG Details
Post Graduate (PG) Courses
1 CH427 / CHY400/ 12CHY433/15CHY503/18CHY512 Molecular Spectroscopy MSc I year, Int MSc 4th year
2 CHY527 Spectroscopic Identification of Organic Compounds MSc II year
3 CH422 / CHY411 Chemistry of Co-ordination Compounds MSc I year
4 CHY510/CHY521 / 12CHY512/15CHY613 Solid State, Bio-Inorganic and Organometallics MSc II year, Int MSc 5th Year
5 CH450 Industrial Catalysis MSc I year
6 12CHY430 /15CHY501 Group Theory and Quantum Chemistry MSc I year, Int MSc 4th year
7 18CHY501 Quantum Chemistry MSc I year, Int MSc 4th year
  18CHY505 Group Theory and its Applications MSc I year, Int MSc 4th year
7 12CHY434 /15CHY502 Chemical Thermodynamics and Equilibria MSc I year, Int MSc 4th year
8 12CHY422 /15CHY611 Computational Chemistry MSc II year, Int MSc 5th year
9 CH481/ CHY480 / 12CHY480/15CHY581 Inorganic qualitative Semimicro Analysis Lab MSc I year, Int MSc 4th year
10 CHY481/CH483 Quantitative Inorganic Analysis MSc I year
11 CHX99/ 15CHY696 PG Project MSc IIyear, Int MSc 5th year
Undergraduate (UG) Courses
12 CH110 / CH100/CHY100 Engineering Chemistry [For B Tech] B Tech
13 CH180 / CHY181 Chemistry Lab (For B Tech] B Tech
14 CH323 Instrumental methods of Analysis B Tech
15 CH320 Catalytic Chemistry B Tech
16 CH325 Electrochemical Energy systems B Tech
17 CHY272/ CHY273 Computational Chemistry and Molecular Modeling B Tech
18 12CHY113 General Chemistry I Int MSc I year
19 12CHY114 General Chemistry II Int MSc I year
20 12CHY231 Physical Chemistry I Int MSc II year
21 12CHY232 Physical Chemistry II Int MSc II year
22 12CHY331 Physical Chemistry III Int MSc III year
23 12CHY332 Modern Spectroscopic techniques Int MSc III year
24 12CHY281 /15CHY186 Inorganic Qualitative Analysis Lab Int MSc I /II year
25 12CHY282 Inorganic Quantitative Analysis Lab -Volumetry Int MSc II year
26 12CHY384 /15CHY385 Inorganic Quantitative Analysis Lab -Gravimetry Int MSc III year
27 12CHY395 UG Project (For Exit Option Students) Int MSc III year


Publication Type: Journal Article

Year of Publication Title


A. Ma HimaVyshnavi, Anand, C. Lb, Deepak, O. Mc, and P. K. Krishnan Namboori, “Evaluation of colorectal cancer (CRC) epidemiology a pharmacogenomic approach”, Journal of Young Pharmacists, vol. 9, pp. 36-39, 2017.[Abstract]

Background: The population-wise variation in proneness of Colorectal Cancer (CRC) has been studied in the manuscript. A population wise analysis of responsiveness towards colorectal cancer is carried out with genetic, epigenetic, metagenomic and environmental factors associated with APC mutation mainly responsible for CRC among eight different populations. Methods and Material: The APC mutation has been obtained using the 'human gene mutation database-HGMD' and the 'international cancer genome consortium-ICGC' Data Portal. The epigenetic factors affecting colon cancer have been identified through EpiGRAPH tool. The 'human oral microbiome database (HOMD) and 'comparative toxicogenomics database (CTD)' are used to find the metagenomic factors affecting CRC. Results: Variants of APC gene from the selected ethnic classes chosen from Argentina, France, Germany, India, Poland, Romania, UK and USA were characterized, where the chromosome positions 112102966-112177228 are found to be affected. It has been found that among epigenetic factors: chromosome organization, population variation, and evolutionary history are highly promising features for the prediction of DNA methylation. It has been found that consumption of linoleic acid, oleic acid, and lauric acid play a major role in preventing CRC. Conclusions:The chromosome positions 112102966-112177228 are found to be the most prone region for APC mutation. Chromosome organization, population variation, and evolutionary history are highly promising epigenetic features for the prediction of DNA methylation and further mutation. The consumption of spices, coconut oil, fish (in coastal areas), dairy products and reduced intake of red meat may be the reasons for less incidence rate of CRC among the Indian population.

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C. P. Anju, Anusooya, N. J., Deeasree, M., Deepak, O. Mc, and P. K. Krishnan Namboori, “De Novo designing of HDAC inhibitors in cancer therapy”, International Journal of Pharmaceutical Science and Health Care, vol. 2, pp. 59–66, 2012.[Abstract]

HDACs are enzymes found in eukaryotes. It removes the acetyl group from the lysine residue on the N-terminal regions of histone proteins and the process is called histone deacetylation. It results in the increased positive charge on histones. The DNA possesses negatively charged sugar-phosphate backbone; therefore the positively charged histones bind more firmly to the DNA. This makes the DNA unavailable for the transcription
factors and eventually leads to the gene silencing. Rather than histone proteins, HDACs ...

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BharathParimalam, R, R. Devi, K, V. Gopal, P.K, K. Namboori, and Deepak, O. Mc, “Translocation Dynamics of Ions through Bionanopores – A Computational Analysis”, Int. J. of Recent Trends in Engineering and Technology, vol. 4, 1 vol., 2010.


R. Radhika, Rohith, V., Kumar, N. C. Anil, K Gopal, V., Namboori, P. K. Krishnan, and Deepak, O. Mc, “Insilico Analysis of Nano Polyamidoamine (PAMAM) Dendrimers for Cancer Drug Delivery”, Int. J. of Recent Trends in Engineering and Technology, vol. 4, pp. 142-144, 2010.[Abstract]

The treatment of cancer is mainly through chemotherapy, radiational therapy and surgery. However there are many limitations for the conventional use of cytotoxic drugs which may result in lack of selectivity in the body and the intrinsic or acquired multidrug resistance of cancer cells. Hence to end this nano dendritic polymer is used as drug carriers due to their diverse chemistry and safety characteristics in the body. Dendrimers are hyper branched distinctive class of macromolecules having highly branched; three-dimensional architectures with low polydispersity and high functionality .Compared to classical polymers, dendrimers have a sharp degree of molecular uniformity, narrow molecular weight distribution, unambiguous size and shape characteristics, and a high- functionalized terminal surface. Due to their high flexibility, nano-size, and well defined structure dendrimers are used as promising scaffolds and have diverse applications in the field of biomedicine. Different types of interactions like electrostatic, hydrophobic and hydrogen bond interactions take place during entrapment of drugs within the dendritic polymer and the covalent and electrostatic interaction between a drug and the surface of a polymer have been analyzed. Molecular simulations have been used in this work to study the various properties of Polyamidoamine (PAMAM) dendrimers both in equilibrium as well as in the transient or steady-state flows. Hence an insight into these analyses will help us to study how the molecular properties help in anticancer drug delivery.

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Publication Type: Conference Proceedings

Year of Publication Title


N. P. K, Deepak, O. Mc, N, B., KS, S., A, J., Asha Asokan Manakadan, and P, R. U., “Computational modeling of Environmentally Responsive Hydrogels (ERH) for drug delivery system”, Current Computer Aided Drug Design, vol. 9. pp. 76-82, 2013.[Abstract]

The present work aims at computational analysis of environmentally responsive hydrogels with enormous prospective in the formulation aspect of drug delivery systems. The drug delivery potential of hydrogels to the targets is owing to the specific stimuli responsive nature of the hydrogels. The environmental factors looked upon in the study are changes in pH, alteration of temperature and glucose concentration rise originated in the body as a result of various disease conditions. Polymers, synthetic polypeptides and dendrimers have been used in the present work to study the feasibility of drug delivery. The computational methods have been used to formulate polymer properties, pharmacokinetics and toxicity studies. Diverse interactions approximating electrostatic, hydrophobic and hydrogen bond interactions acquire place during incorporation of drugs within the polymer and dendrimers. The covalent and electrostatic interactions between a drug and the surface of polymer and dendrimer have been analyzed. The docking interaction studies have been performed and the best polymer and dendrimer complex have been selected based on the docking score, binding energy and interaction energy with the drugs. G5 generation of poly amidoamine dendrimers and poly N-Ndiethyl acrylamide (PDEAAM) have been identified as most suitable stimuli-responsive effective drug carriers for anti diabetic drugs and diuretics. Favorable results have been obtained while using poly acrylic acid (PAA) for corticosteroids and polylysine for diabetic drugs. ConA protein along with poly aspartic acid also showed good results.

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A. G. Warrier, Barani, D. M., Deepak, O. Mc, P. K. Krishnan Namboori, Sairam, G. L., and S Surendran, S., “Biomolecular motor proteins as targets for cancer treatment- a computational study”, IEEE Tech Symbosium. IEEE, IIT, Kharagpur, pp. 17 - 20, 2010.[Abstract]

Molecular motors carry out essential functions in the cell and form the basis of many important biological processes. A distinctive property of molecular motors is their ability to convert energy from ATP upon hydrolysis. These motors are able to bind and move along cytoskeletal filaments. The protein analysis performed revealed the conserved regions and the active sites of these proteins which can be used for ligand designing for effectively targeting of the drugs. Stability, aliphatic index, hydropathy index and half life of these proteins were also calculated. From the computational modeling and simulation studies, interaction potential energy of each of the motor proteins has been computed. The interaction potential energy and Vander Waals energy were found to be negative for all the motor proteins. The analysis described in this paper points out several properties of the molecular motors and thus provides information on roles of these chemicals in various body disorders. Molecular motors involved in cell division can be effectively targeted by the drugs against cancer.

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