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Dr. Chandan Patel


Adjunct Faculty of Chemistry


Applied Science


Mobile Number: 



  • PhD. Ecole Normale Superieure de Lyon (France)

Date of Joining COEP: 

Sunday, November 8, 2020

Prior to joining COEP Industrial Experience (Years): 


Prior to joining COEP Teaching/Research Experience (Years): 


Area of Research: 

  • Computational chemistry
  • reaction mechanism
  • catalysis
  • protein-ligand interactions

Responsibilities Shouldered: 

(Central portfolios: past and present)

  • Member of the team responsible for setting up and maintenance of the High Performance          
  • Computing Facility (Corona) at Indian Institute of Technology Bombay.
  • Reviewer for Journals: Organic and Biomolecular Chemistry, Industrial and Engineering Research

Awards / Honors received: 

1.Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway

Rathore, I.; Mishra, V.; Patel, C. ; Xiao, H. ; Gustchina, A. ; Wlodawer, A. ; Yada, R. Y. ; Bhaumik, P. The FEBS Journal, Accepted, 2020. DOI :10.1111/febs.15363   

2.Hypercoordinate Iodine catalysts in enantioselective transformations : The role of catalyst folding in stereoselectivity

Sreenithya A.; Patel, C.; Hadad, C. M.; Sunoj, R. B. ACS catal. 2017, 7, 4189.

3.Mechanism and reactivity in the Morita-Baylis-Hillman reaction : the challenge of accurate computation

Liu, Z. ; Patel, C. ; Harvey, J. N. ; Sunoj, R. B. Phys. Chem. Chem. Phys. 2017, 19, 30647.


4.Mechanistic Insights and the Origin of Regioselective Borylation in an Iridium-Catalyzed Alkyl C(sp3)–H Bond Functionalization

Patel, C.* ; Abraham, V. ; Sunoj, R. B.*Organometallics, 2017, 36, 151.

*Corresponding Authors

5.Understanding the structural basis of substrate recognition by Plasmodium falciparum plasmepsin V to aid in the design of potent inhibitors

Bedi, R. K.; Patel, C. ; Mishra, V. ; Xiao, H. ; Yada, R. Y. ; Bhaumik, P. Sci. Rep. 2016, 6, 31420.

Equal first authors

6.Structure, dynamics and interactions of a C4′-oxidized abasic site in DNA : a concomitant strand scission reverses affinities

Patel, C.; Tomàs, D. ; Lankaš, F. ; Dumont, E. Biochemistry, 2013, 52, 8115.

7.Addressing the competitive formation of tandem DNA lesions by a nucleobase peroxyl radical : a DFT-D screening

Dupont, C. ; Patel, C.; Ravanat, J. –L. ; Dumont, E. Org. Biomol. Chem. 2013, 11, 3038.

8.What Singles Out the G[8–5]C Intrastrand DNA Cross-Link? Mechanistic and Structural Insights from Quantum Mechanics/Molecular Mechanics Simulations

Patel, C.; Garrec, J.; Dupont, C.; Dumont, E. Biochemistry, 2013, 52, 425.

9.Insights into Intrastrand Cross-Link Lesions of DNA from QM/MM Molecular Dynamics Simulations

Garrec, J.; Patel, C.; Rothlisberger, U.; Dumont, E. J. Am. Chem. Soc., 2012, 134, 2111.

10.Improved DFT Description of Intrastrand Cross-Link Formation by Inclusion of London Dispersion Corrections

Dupont, C.; Patel, C.; Dumont, E. J. Phys. Chem. B, 2011, 115 , 15138.

11.TiCl4-Promoted Baylis−Hillman Reaction: Mechanistic Rationale toward Product Distribution and Stereoselectivity

Patel, C.; Sunoj, R. B. J. Org. Chem., 2010, 75, 359.

12.Mechanistic Insights and the Role of Cocatalysts in Aza-Morita−Baylis−Hillman and Morita−Baylis−Hillman Reactions

Roy, D.; Patel, C.; Sunoj, R. B. J. Org. Chem., 2009, 74, 6936.

13.Probing Intramolecular Interactions in Arylselenides Using a Property Descriptor Based Approach

Roy, D.: Patel, C.; Liebman, J. F.; Sunoj, R. B. J. Phys. Chem. A, 2008, 112, 8797.

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