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From the Desk of the Vice Chancellor

Greetings!

As the Vice Chancellor of this premier university, I am extremely pleased to share this space to converse with all of you. The University of Madras is a post- sesquicentennial institution which has forged a glorious path for itself and has been the site for significant scientific discoveries as well as the beacon for national and regional societal transformation. It has successfully managed to hold aloft its tradition even while keeping up with the emerging trends. One reason for this is the way in which the university has kept alive its interactions with all the stakeholders.

The COVID 19 pandemic has introduced a ‘new normal’ and its impact is felt in the workings of the university as well. The students have been attending the lectures online. While online learning has the advantage of being anytime and anywhere, it has taken away the peer group interaction and peer learning which are integral aspects of the university experience. We look forward to welcoming you to the campus very soon. Meanwhile, our faculty and administration will continue to bring the best to the virtual classrooms. As students, you need to view the restrictions posed by the pandemic as a temporary deterrent. Your focus should be to gain the competencies to conduct application oriented research in order to evolve as useful citizens of our society.

Our university boasts of faculty with a high degree of knowledge and commitment to offer the best in teaching and research. Given the context of the pandemic, we need to redefine our teaching-learning processes to offer the best pedagogic experience to our students. Similarly, the post-pandemic era demands that we hone the employment potential and entrepreneurial capacity of our learners. This necessitates that we focus on sponsored research in cutting edge areas.

Our administrative staff have been the backbone of the university. While we move towards a transparent and complete e-governance model, we need more support from you. When the teaching-learning process at our university – from admission to certification -- is moving into the digital era, your skills and competencies need to keep pace.

At our university, we are gearing up for the final round of NAAC re-accreditation. This has offered us an opportunity to assess our Strengths, Weaknesses, Opportunities and Challenges. Further, it has made us more determined to reiterate our quality benchmarks in teaching, research and extension activities. We are aware of this responsibility and fully prepared for it because, our university has always encouraged individual thinking within the established frameworks. This is echoed in the words of Tim Burners Lee, who initiated the World Wide Web: “We are forming cells within a global brain and we are excited that we might start to think collectively. What becomes of us still hangs crucially on how we think individually.” Let us unite to make the educational experience at the University of Madras a synergy of the best minds and best thoughts.

Prof.Dr.S.Gowri

Vice-Chancellor
University of Madras

Dr.K.GuganPh.D

Assistant professor
Department of Crystallography and Biophysics
1

Awards

42

Publications

1

Seminars / Conference

4

Projects

3

Ph.D Awarded

0

Ph.D Present

Publications

Articles (Total Articles: 39)

# Title Author Publisher Volume Year Page(s)
1 Molecular Structure, ft-raman, ir, nlo, nbo, homo–lumo analysis, physicochemical descriptors, adme parameters, and pharmacokinetic bioactivity of 2, 3, 5, 6-tetrachloro-p … A Suvitha, MAM El-Mansy, G Kothandan, A Steephen Journal of Structural Chemistry 62 2021 1339-1356
2 Understanding the dual mechanism of bioactive peptides targeting the enzymes involved in Renin Angiotensin System (RAS): An in-silico approach Gunalan, Seshan, Kanagasabai Somarathinam, Jayanti Bhattacharya, Shantkriti Srinivasan, S. M. Jaimohan, Ravi Manoharan, Sowmya Ramachandran, Sekar Kanagaraj, and Gugan Kothandan Journal of Biomolecular Structure and Dynamics 38(17) 2020 5044-5061
3 Crystal structure and hirshfeld surface analysis of 1, 2, 3, triazole bridged pyrrolizidine grafted macrocycle Prabhakaran, Perumal, Somarathinam Kanagasabai, Gunalan Seshan, Kothandan Gugan, S. Usharani, and Perumal Rajakumar. Chemical Data Collections 28 2020 100427
4 Proposing the Promiscuous Protein Structures in JNK1 and JNK3 for Virtual Screening in Pursuit of Potential Leads Sailapathi, Ananthasri, Gopinath Murugan, Kanagasabai Somarathinam, Seshan Gunalan, Rahul Jagadeesan, Niyaz Yoosuf, Sekar Kanagaraj, and Gugan Kothandan. ACS omega 5(8) 2020 3969-3978
5 Insights of structure-based pharmacophore studies and inhibitor design against Gal3 receptor through molecular dynamics simulations. Seshan, Gunalan, Somarathinam Kanagasabai, Sailapathi Ananthasri, Balaji Kannappan, A. Suvitha, S. M. Jaimohan, Sekar Kanagaraj, and Gugan Kothandan. Journal of Biomolecular Structure and Dynamics 2020 1-13.
6 Evaluation of potential drugs against leishmaniasis targeting catalytic subunit of Leishmania donovani nuclear DNA primase using ligand based virtual screening, docking and molecular dynamics approaches. Bhowmik, Deep, Rahul Jagadeesan, Praveen Rai, Rajat Nandi, Kothandan Gugan, and Diwakar Kumar. Journal of Biomolecular Structure and Dynamics 2020 1-15
7 In-silico studies on Myo inositol-1-phosphate synthase of Leishmania donovani in search of anti-leishmaniasis. Sinha, Mousumi, Rahul Jagadeesan, Neeraj Kumar, Satabdi Saha, Gugan Kothandan, and Diwakar Kumar. Journal of Biomolecular Structure and Dynamics 2020 1-14.
8 Berberine and Emodin abrogates breast cancer growth and facilitates apoptosis through inactivation of SIK3-induced mTOR and Akt signaling pathway. Ponnusamy, Lavanya, Gugan Kothandan, and Ravi Manoharan. Biochimica et Biophysica Acta (BBA)-Molecular Basis of Disease 1866(11) 2020 165897
9 Crystal structure and hirshfeld surface analysis of 2,2’-Bi-(3-phenyl-2H-1,4-benzothiazine) Somarathinam Kanagasabai, Gugan Kothandan, Mandapati Bhargav Reddy, Ramasamy Anandhan, S. Madan Kumar, and S. Usharani Chemical Data Collections 100189 2019
10 Application of docking and active site analysis for enzyme linked biodegradation of textile dyes. Shantkriti Srinivasan, Senthil Kumar Sadasivam, Seshan Gunalan, Gnanendra Shanmugam, Gugan Kothandan Environmental Pollution 248 2019 599-608
11 Synthesis, X-ray Crystal Structure and DFT Calculations of 2′,4’-dihydro-10H-spiro [anthracene-9,3′-benzo[b][1,4]thiazin]-10-amine and 1,3,5 -triindolyl benzene. Kanagasabai Somarathinam , Saravanan Velautham ,Rajakumar Perumal , Saravanan Kandasamy , Shantkriti Srinivasan , E. Gayathri , S.Usharani, Gugan Kothandan* Chemical Data Collections 21 2019 100227
12 Gas Chromatography-Mass Spectrometry analysis and Docking Studies of Andrographis Paniculata against Dengue Fever Kanagasabai Somarathinam, Gugan Kothandan*, Velmurugan Devadasan Innovare Journal of Life Sciences 6 (1) 2018 15-19
13 Unveiling the Accuracy of Homology Modeling to Elucidate the Structure of GPCRs-HIV Co-receptor-CCR5 as a Case Study. Vadivelu Aanand, Rajendran Anitha, Somarathinam Kanagasabai, Gunalan Seshan, Changdev G. Gadhe and Gugan Kothandan*. Letters in Drug Design and Discovery 14 2017.
14 Structural insights into the Aedes aegypti aquaporins and aquaglyceroporins an in-silico study. Sandhya Sreedharan, Gugan Kothandan and Kavitha Sankaranarayanan. Journal of Receptor and Signal Transduction 36 2016 543-557.
15 In silico study of 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl) ethanones derivatives as CCR1 antagonist: Homology modeling, docking and 3D-QSAR approach. Pavithra K Balasubramanian, Anand Balupuri, Gugan Kothandan, Seung Joo Cho. Bioorganic and medicinal chemistry letters 24 2014 928-933.
16 Investigation of the Binding Site of CCR2 using 4-Azetidinyl-1-aryl-cyclohexane Derivatives: A Membrane Modeling and Molecular Dynamics Study. Gugan Kothandan, Changdev G. Gadhe and Seung Joo Cho. Bulletin of Korean chemical Society 34 2014 3429 - 3443.
17 Nociceptin receptor (NOPR) and its interaction with clinically important agonist molecules: A membrane molecular dynamics simulation study.  Gugan Kothandan*, Changdev G. Gadhe Anand Balupuri, Jagadeesan Ganapathi and Seung Joo Cho. Molecular Biosystem 10 2014 3188-3198
18 A combined 3D QSAR and pharmacophore-based virtual screening for the identification of potent p38 MAP kinase inhibitors: an in silico approach. Gugan Kothandan, Thirumurthy Madhavan, Changdev G. Gadhe and Seung Joo Cho. Medicinal Chemistry Research 22 2013 1773 -1787
19 Binding site exploration of CCR5 using in silico methodologies: a 3D-QSAR approach. Changdev G Gadhe, Gugan Kothandan and Seung Joo Cho. Archives of Pharmacal Research 36 2013 6-31
20 Theoretical characterization of Galanin receptor type 3 (Gal3 ) and its interaction with agonist (GALANIN) and antagonists (SNAP 37889 and SNAP 398299): An in silico analysis. Gugan Kothandan and Seung Joo Cho., Changdev G Gadhe Chemical Biology and Drug Design 81 2013 757-774
21 In silico study of desmosdumotin as an anticancer agent: Homology modeling, docking and molecular dynamics simulation approach. Changdev G Gadhe, Gugan Kothandan and Seung Joo Cho. Anti-Cancer Agents in Medicinal Chemistry 13 2013 1636-1644
22 Characterization of Binding Mode of the Heterobiaryl gp120 Inhibitor in HIV-1 Entry: A Molecular Docking and Dynamics Simulation Study. Changdev G Gadhe, Gugan Kothandan and Seung Joo Cho. Bulletin- Korean Chemical Society 34 2013 2466-2472.
23 Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: using an integrated homology modeling, docking, and membrane molecular dynamics simulation analysis approach. Changdev G Gadhe, Gugan Kothandan and Seung Joo Cho. Journal of biomolecular structure & dynamics 31 2013 1251-1276.
24 Molecular insights on TNKS1/TNKS2 and inhibitor-IWR1 interactions. Palani Kirubakaran, Gugan Kothandan, Seung J Cho, Karthikeyan Muthusamy. Molecular Biosystems 10 2013 281-293
25 In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study. Anand Balupuri, Changdev G Gadhe, Pavithra K Balasubramanian, Gugan Kothandan, Seung Joo Cho. Archives of Pharmacal Research. 31 2013 1001-1015
26 Modeling study of phenylsulfonylfuroxan derivatives as P-gp inhibitors: CoMFA, CoMSIA and HQSAR combined analyses approach. Changdev G Gadhe, Gugan Kothandan, Seung Joo Cho. Anticancer Agents Med. Chem. 13 2013 1636-1644
27 QSAR analysis on PfPK7 inhibitors using HQSAR, CoMFA, and CoMSIA. Thirumurthy Madhavan, Gugan Kothandan, Changdev G. Gadhe and Seung Joo Cho. Medicinal Chemistry Research 21 2012 681-693
28 Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study. Gugan Kothandan, Changdev G Gadhe and Seung Joo Cho. Plos One 7 2012 e32864
29 Large variation in electrostatic contours upon addition of steric parameters and the effect of charge calculation schemes in CoMFA on mutagenicity of MX analogues. Changdev G Gadhe, Gugan Kothandan and Seung Joo Cho. Molecular Simulation 38 2012 861-871.
30 Enhancement of P-gylcoprotein modulators of arylmethylaminephenyl derivatives: an integrative modeling approach. Thirumurthy Madhavan, Changdev G. gadhe, Gugan Kothandan and Seung Joo Cho. Medicinal Chemistry Research 22 2012 2511-2523.
31 In silico quantitative structure-activity relationship studies on P-gp modulators of tetrahydroisoquinoline-ethyl-phenylamine series. Changdev G. Gadhe, Thirumurthy Madhavan, Gugan Kothandan and Seung Joo Cho. BMC Structura Biology 11 2011 5
32 Binding site analysis of CCR2 through in silico methodologies: docking, CoMFA, and CoMSIA. Gugan Kothandan, Changdev G Gadhe, Thirumurthy Madhavan and Seung Joo Cho. Chemical Biology and Drug Design 78 2011 161-174.
33 Various Atomic Charge Calculation Schemes of CoMFA on HIF-1 Inhibitors of Moracin Analogs. Thirumurthy Madhavan, Changdev G. Gadhe, Gugan Kothandan and Seung Joo Cho. International Journal of Quantum Chemistry 112 2011 995-1005.
34 Molecular modeling study of HIV-1 gp120 attachment inhibitors. Changdev G Gadhe, Gugan Kothandan, Thirumurthy Madhavan and Seung Joo Cho. Medicinal Chemistry Research 21 2011 1892-1904
35 Docking and 3D-QSAR (quantitative structure activity relationship) studies of flavones, the potent inhibitors of p-glycoprotein targeting the nucleotide bindin domain. Gugan Kothandan, Changdev G Gadhe, Thirumurthy Madhavan, Cheol Hee Choi and Seung Joo Cho. European journal of medicinal chemistry 46 2011 4078-4088
36 3D-QSAR studies of JNK1 inhibitors utilizing various alignment methods. Thirumurthy Madhavan, Jae Yoon Chung, Gugan Kothandan, Changdev G Gadhe, Seung Joo Cho. Chemical Biology and Drug Design 79 2011 53-67
37 Various Partial Charge Schemes on 3D-QSAR Models for P-gp Inhibiting Adamantyl Derivatives. Changdev G Gadhe, Thirumurthy Madhavan, Gugan Kothandan, Tae-Bum Lee, Kyeong Lee and Seung Joo Cho. Bulletin of Korean Chemical Society 32 2010 1604-1612.
38 Ligand Based CoMFA, CoMSIA and HQSAR Analysis of CCR5 Antagonists. Changdev G Gadhe, Sung Haeng Lee, Thirumurthy Madhavan, Gugan Kothandan, Dubok Choi and Seung Joo Cho. Bulletin of Korean Chemical Society 31 2010 2761-2770.
39 Magnolol Inhibits LPS-induced NF-êB/Rel Activation by Blocking p38 Kinase in Murine Macrophages. Mei Hong Li, Gugan Kothandan, Seung Joo Cho, Pham Thi Thu Huong, Yong Hai Nan, Kun Yeong Lee, Song Yub Shin, Sung Su Yea and Young Jin Jeon. Korean Journal of Physiology and Pharmacology 14 2010 353-358.

Books (Total Books: 1)

# Title Author Publisher Volume Year Page(s)
1 Importance of Homology Modeling for Predicting the Structures of GPCRs. Sailapathi, Ananthasri, Seshan Gunalan, Kanagasabai Somarathinam, and Gugan Kothandan In Homology Molecular Modeling-Perspectives and Applications IntechOpen. 2020

Journals (Total Journals: 2)

# Title Author Publisher Volume Year Page(s)
1 Antihypertensive effects of pentacyclic triterpenoid from Convolvulus pluricaulis and its plausible mechanism of action hypothesizing its selectivity targeting the Renin Angiotensin Aldosterone System   Kanagasabai Somarathinam, Seshan Gunalan, Ananthasri Sailapathi, Balashanmugam Pannerselvam, M Mohanasundari, Ashok Kumar Balaraman, Gugan Kothandan Phytomedicine Plus 3 2023 100408
2 Polygenic score for Alzheimer’s disease identifies differential atrophy in hippocampal subfield volumes Balaji Kannappan, Tamil Iniyan Gunasekaran, Jan Te Nijenhuis, Muthu Gopal, Deepika Velusami, Gugan Kothandan, Kun Ho Lee, Plos One 17 2022 e0270795
// FLASH NEWS //
  • University of Madras attains category - 1 status from UGC |  NIRF Ranking - Ranked 39 in University Category 2024 |  University of Madras has been graded A++ in the NAAC Assessment

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