patelc.appsci@coep.ac.in

Faculty

Dr. Chandan Patel

Areas of Expertise

• Quantum Chemical Calculations
• Molecular Dynamics Simulations
• Protein Ligand Docking

Areas of Interest

• Reaction Mechanism
• Protein-Ligand interactions
• Protein Structure
• Weak Interactions
• Prediction of Chemical properties

Designation: 

Adjunct Faculty

Department: 

Applied Science

Email: 

patelc.appsci@coep.ac.in

Date of Joining COEP: 

09/11/2020

Prior to joining COEP Industrial Experience (Years): 

0

Prior to joining COEP Teaching/Research Experience: 

3

Teaching Experience: 

3

Industry Experience: 

0

Research Experience: 

2

Qualifications: 

• Doctorate, Ecole Normale Superieure de Lyon, France
• Integrated Masters in Chemistry, Indian Institute of Technology, Bombay, India

Teaching Responsibility: 

• Applied Chemistry course for F.Y. B.Tech
• Applied Chemistry Laboratory for F.Y. B.Tech

Additional Responsibility: 

• Scrutiny Team Member, M. Tech./MBA Admissions. (2020-2021 & 2021-2022)
• Faculty Advisor, F.Y. B.Tech (2021-2022)
• Faculty Mentor, Student Induction Program (2020-2021 & 2021-2022)

Publications: 

1. Revisiting the Use of Quantum Chemical Calculations in LogP_{octanol-water} Prediction.
   Patel, C.; Roy, D. Molecules, 2023, 28, 801.
2. Octanol-Water Partition Coefficients of Fluorinated Drug Molecules with Continuum Solvation Models. 
   Patel, C.;  Roy, D.  J. Phys. Chem. A, 2022, 126, 4185-4190.
3. A Computational Study of Molecular Mechanism of Chloroquine Resistance by Chloroquine Resistance Transporter Protein of Plasmodium falciparum via Molecular Modeling and Molecular Simulations. 
   Patel, C.; Roy, D. PhysChem, 2021, 1, 232.
4. 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, 2021, 288, 678.
5. 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.
6. 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.
7. 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.
8. 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.
9. 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.
10. 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.
11. 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.
12. 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.
13. 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.
14. TiCl4-Promoted Baylis−Hillman Reaction: Mechanistic Rationale toward Product Distribution and Stereoselectivity.
    Patel, C.; Sunoj, R. B. J. Org. Chem., 2010, 75, 359.
15. 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.
16. 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.