Dr. C. Gopi Mohan

Amrita Centre for Nanoscience and Molecular Medicine specializing

Amrita Institute Medical Sciences & Research Centre, India

Associate Professor


Research fields:

Computational Biology and Structural Bioinformatics



Structure-Based Drug Design.

Publications (Selected):

  1. Pushkaran AC, Vinod V, Vanuopadath M, Nair SS, Nair SV, Vasudevan AK, Biswas R, Mohan CG*. Combination of Repurposed Drug Diosmin with Amoxicillin-Clavulanic acid Causes Synergistic Inhibition of Mycobacterial Growth. Scientific Reports (Nature), 2019 May 1; 9(1):6800.
  2. Anju CP, Subhramanian S, Sizochenko N, Melge AR, Leszczynski J, Mohan CG*. Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition. Journal of Biomolecular Structure and Dynamics, 2019 Apr 37(6): p(1582-1596),
  3. Anu R Melge, Lekshmi G Kumar, Pavithran K, Shantikumar V. Nair, Manzoor K, C. Gopi Mohan*, Predictive Models for Designing Potent Tyrosine Kinase Inhibitors and Understanding its Molecular Mechanism of Resistance by Molecular Docking and Dynamics Simulations. Journal of Biomolecular Structure & Dynamics, 2018. p(1-20), 1559765
  4. Aparna V, Melge AR, Rajan VK, Biswas R*, Jayakumar R*, Gopi Mohan C*, Carboxy-methylated ɩ-carrageenan conjugated amphotericin B loaded gelatin nanoparticles for treating intracellular Candida glabrata infections. International Journal of Biological Macromolecule, 2018 Apr 15;110:140-149. 11.126
  5. Basheer F, Melge AR, Sasidharan A, Shantikumar V Nair, Manzoor K*, Mohan CG*. Computational simulations and experimental validation of structure- physicochemical properties of pristine and functionalized graphene: Implications for adverse effects on p53 mediated DNA damage response.  International Journal of Biological Macromolecule, 2018 Apr 15, Vol. 110, p (540-549).
  6. Serene Xavier, C. Gopi Mohan, Shantikumar V. Nair, Krishnakumar N. Menon, Lakshmi SV*, Generation of humanized single-chain variable fragment variable immunotherapeutic against EGFR variant III using baculovirus expression system and in vitro validation, International Journal of Biological Macromolecules, Nov. 22, 124: 17-24, 2018.
  7. Chatterjee M, Pushkaran AC, Vasudevan AK, Menon KKN, Biswas R*, Mohan CG*. Understanding the adhesion mechanism of a mucin binding domain from Lactobacillus fermentum and its role in enteropathogen exclusion. International Journal of Biological Macromolecule, 2018 Apr 15, Vol. 110, p (598-607).
  8. Melge AR, Prakash O, S S, Biswas R, Biswas L*, C. Gopi Mohan*, Structure-function studies of prothrombin Amrita, a dysfunctional prothrombin characterized by point mutation at Arg553 → Gln.  International Journal of Biological Macromolecule, 2018 Apr 15;110:550-557.
  9. Nithya S, Nimal TR, Baranwal G, Suresh MK, C P A, Anil Kumar V, Gopi Mohan C, Jayakumar R*, Biswas R*. Preparation, characterization and efficacy of lysostaphin-chitosan gel against Staphylococcus aureus.  International Journal of Biological Macromolecule, 2018 Apr 15; 110:157-166. 2018.01.083
  10. Sreeranganathan M, Uthaman S, Sarmento B, Mohan CG, Park IK, Jayakumar R*. In vivo evaluation of cetuximab-conjugated poly (γ-glutamic acid)-docetaxel nanomedicines in EGFR-overexpressing gastric cancer xenografts. International Journal of Nanomedicine. 2017 Sep 30; 12:7165-7182. eCollection 2017.
  11. Chatterjee M, D'Morris S, Paul V, Warrier S, Vasudevan AK, Vanuopadath M, Nair SS, Paul-Prasanth B, Mohan CG, Biswas R. Mechanistic understanding of Phenyllactic acid mediated inhibition of quorum sensing and biofilm development in Pseudomonas aeruginosa. Applied Microbiology & Biotechnology 2017 Nov; 101(22):8223-8236. Epub 2017 Oct 5.
  12. Gayathri NK, Aparna V, Maya S, Biswas R, Jayakumar R*, Mohan CG*. Preparation, characterization, drug release and computational modelling studies of antibiotics loaded amorphous chitin nanoparticles. Carbohydrate Polymers, 2017 Dec 1; 177:67-76. 2017.08.112
  13. Vijayrajratnam S, Choorakottayil Pushkaran A, Balakrishnan A, Vasudevan AK, Biswas R* & C Gopi Mohan*, Understanding the molecular differential recognition of muramyl peptide ligands by LRR domains of human NOD receptors. Biochemical Journal, 2017 Jul 27; 474(16):2691-2711.
  14. Panicker PS, Melge AR, Biswas L, Pavithran K, C Gopi Mohan*, Epidermal growth factor receptor (EGFR) structure-based bioactive pharmacophore models for identifying next-generation inhibitors against clinically relevant EGFR mutations. Chemical Biology & Drug Design, 2017 Oct. 90(4):629-636.
  15. Sukhithasri V, Anju CP, Aathira B, Anilkumar V, Raja Biswas* & C Gopi Mohan*, Bacterial Peptidoglycan with Amidated meso-diaminopimelic acid Evades NOD1 Leucine Rich Repeat Domain Recognition: An insight on NOD1 Structure-Recognition Study., Biochemical Journal, Portland Press, UK, 2016. Vol. 473(24), p(4573-4592). 
  16. P. Geetha, Amal J.S, R. Jayakumar* & C. Gopi Mohan*, Integration of in silico modeling and experimental approach to study the chitin nanocarriers for cancer drug delivery, Carbohydrate Polymers, Vol. 142, p(240-249), 2016.
  17. Sneha P, Ankit T, Jane JV, Krishnakumar Menon* & C Gopi Mohan*, Integration of Common Feature Pharmacophore Modelling and In Vitro Study to Identify Potent AChE Inhibitors, Medicinal Chemistry Research (Springer), Vol. 25, p(2965-2975), (2016).
  18. Tamanna Gandhi, Anu R Melge and C. Gopi Mohan*, In Silico Identification of T-type Calcium Channel Blockers: A Ligand-Based Pharmacophore Mapping Approach, Journal of Advanced Research (Elsevier), Vol. 7, p(931-944), (2016).
  19. Maitrayee Chatterjee, Anju C P, Lalitha Biswas, V. Anil Kumar, C. Gopi Mohan, Raja Biswas*, Antibiotic resistance in Pseudomonas aeruginosa and alternative therapeutic options, International Journal of Medical Microbiology (Elsevier), Vol. 306 (1), p(48-58), (2016).
  20. Anju C P, Namrata N, Nisha N, Friedrich Götz, Raja Biswas* & C. Gopi Mohan*, Understanding the Structure-Function Relationship of Lysozyme Resistance in Staphylococcus aureus by Peptidoglycan O-Acetylation Using Molecular Docking, Dynamics and Lysis Assay. Journal of Chemical Information and Modelling (ACS), Vol. 55(4), p(760-770), (2015).
  21. Akansha A, Vaibhav J, Parameswaran S and C. Gopi Mohan*, Uridine Monophosphate Kinase as Novel Target for Tuberculosis: From Target to Lead Identification, Interdisciplinary Sciences: Computational Life Sciences (Springer), (2013) (In press).
  22. Ashish Pandey, Jignesh Kumar, Sathyaprakash Tripathi and C. Gopi Mohan*, Harnessing Human N-type Ca2+ Channel Receptor by Identifying the Atomic Hot-Spot Regions for its Structure-Based Blocker Design, Molecular Informatics, (Wiley VCH), Vol. 31, Issue 9, p (643–657), (2012).
  23. Gerda Brunhofer, Adyary Fallarero, Daniela Karlsson, Ana Batista-Gonzalez, Pravin Schinde, C. Gopi Mohan, Pia Vuorela, Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: The case of chelerythrine, Bioorganic & Medicinal Chemistry, Vol. 20, p(6669–6679), (2012).
  24. Daniela K, Adyary F, Gerda B, Claudia M, Ohm Prakash, C. Gopi Mohan, Pia Vuorela and Thomas Erker, The exploration of thienothiazines as selective butyrylcholinesterase inhibitors, European Journal of Pharmaceutical Sciences, Vol. 47, p(190-205), (2012).
  25. Shikhar Gupta, Adyary Fallarero, Päivi Järvinen, Daniela Karlsson, Mark S. Johnson, Pia M. Vuorela and C. Gopi Mohan*, Discovery of Dual Binding Site Acetylcholinesterase Inhibitors Identified by Pharmacophore modelling and Sequential Virtual Screening Techniques, Bioorganic & Medicinal Chemistry Letters, Vol. 21, p(1105-1112), (2011). Highlighted in Nature-India.
  26. Vaibhav Jain, P. Saravanan, Akanksha Arvind and C Gopi Mohan*, First Pharmacophore Model of CCR3 Receptor Antagonists and its Homology Model Assisted, Stepwise Virtual Screening, Chemical Biology & Drug Design, Vol. 77, p(373-387), (2011).
  27. Shikhar Gupta, Adyary Fallarero, Mikko J. Vainio, P. Saravanan, J. Santeri Puranen, Päivi Järvinen, Mark S Johnson, Pia M. Vuorela and C Gopi Mohan*, Molecular Docking Guided Comparative GFA, G/PLS, SVM and ANN models of Structurally Diverse Dual Binding Site Acetylcholinesterase Inhibitors. Molecular Informatics Journal, Vol. 30, p(689-706), (2011).
  28. Vivek Kumar, Parameswaran Saravanan, Akanksha Arvind and C. Gopi Mohan*, Identification of hotspot regions of MurB oxidoreductase enzyme using homology modeling, molecular dynamics and molecular docking techniques, Journal of Molecular Modeling, Vol. 17(5), p(939-953) (2011).
  29. Ashish Pandey, Jignesh M & C Gopi Mohan*, Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis of Hydroxyethylamine Derivatives as Selective Human BACE-1 Inhibitor, Molecular Diversity Journal, Vol. 14(1), p(39-49), (2010).
  30. Divita Garg, Tamanna Gandhi & C Gopi Mohan*, Exploring QSTR and Toxicophore of hERG K+ channel blockers using GFA and HypoGen techniques; Journal of Molecular Graphics and Modelling, Vol. 26 (6), p(966-976), (2008).
  31. Corradi HR, Corrigall AV, Boix E, Mohan CG, Sturrock ED, Meissner PN & Acharya KR, Crystal structure of protoporphyrinogen oxidase from Myxococcus xanthus and its complex with the inhibitor acifluorfen; Journal of Biological Chemistry, Vol. 281(50): p(38625-38633), (2006).
  32. C. Gopi Mohan, E. Boix, H.R. Evans, Z. Nikolovski, M.V. Nogués, C.M. Cuchillo and K.R. Acharya, Crystal Structure of Eosinophil Cationic Protein in Complex with 2’,5’-ADP at 2 Å Resolution reveals the details of the Ribonucleolytic Active site, Biochemistry, Vol.41(40), p(12100-12106), (2002).

Book Editor

  1. Structural Bioinformatics- Applications in Preclinical Drug Discovery Process, Editor: C Gopi Mohan, The Challenges and Advances in Computational Chemistry and Physics series (Book title) Springer Nature Publisher, 2019. Series editor: Prof. Jerzy Leszczynski, USA.


Last Updated: July, 2013.

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