Department of Bioscience & Bioengineering








Journals    |    Invited talks
    * Corresponds to Corresponding Author

  1. Shreya Bhattacharya, Priyadarshi Satpati*. "Energetics of Expanded PAM Readability by Engineered Cas9-NG". Journal of Chemical Information and Modeling (2025), Just Accepted.

  2. Pallav Sengupta, Priyadarshi Satpati*. "Selective Inhibitor Design Against Thymidylate Synthase of Mycobacterium tuberculosis using Alchemical Simulations". ACS Omega (2025), Just Accepted.

  3. Tanumoy Sarkar, Vignesh S. R, Pradeep Kumar Sundaravadivelu, Rajkumar Purushottambhai Thummar, Priyadarshi Satpati*, Sunanda Chatterjee*. "De novo Design of Tryptophan containing Broad-Spectrum Cationic Antimicrobial Octapeptides". ChemMedChem (2024), DOI: 10.1002/cmdc.202400566

  4. Tanumoy Sarkar, Vignesh S. R, Tanya Sehgal, K.R. Ronima, Rajkumar P. Thummer, Priyadarshi Satpati*, Sunanda Chatterjee*. "Development of Protease Resistant and Non-Cytotoxic Jelleine Analogs with enhanced Broad Spectrum Antimicrobial Efficacy". Biochimica et Biophysica Acta (BBA)-Biomembranes (2024), DOI: 10.1016/j.bbamem.2024.184336

  5. Shreya Bhattacharya, Priyadarshi Satpati*. "Why does the E1219V mutation expand T-rich PAM recognition in Cas9 from Streptococcus pyogenes?". Journal of Chemical Information and Modeling (2024), DOI: 10.1021/acs.jcim.3c01515

  6. Manorama Ghosal, Shreya Bhattacharya, Sankar Bhattacharyya, Tatini Rakshit*, Priyadarshi Satpati*, Dulal Senapati*. "E-Protein Protonation Titration-induced Single Particle Chemical Force Spectroscopy for Microscopic Understanding and pI Estimation of Infectious DENV". J. Phys. Chem. B. (2024), DOI: 10.1021/acs.jpcb.4c00057

  7. Tanumoy Sarkar, Suvankar Ghosh, Pradeep Sundaravadivelu, Gopal Pandit, Swapna Debnath, Rajkumar Thummer, Priyadarshi Satpati*, Sunanda Chatterjee*. "Mechanism of Protease Resistance of D-Amino Acid Residue Containing Cationic Antimicrobial Hepta-Peptides" ACS Infectious Disease (2024), DOI: 10.1021/acsinfecdis.3c00491

  8. Suvankar Ghosh, Sunanda Chatterjee*, Priyadarshi Satpati*. "Effect of Spacer Length Modification of the Cationic Side-chain on the Energetics of Antimicrobial Peptide Binding to Membrane-mimetic-bilayers". Journal of Chemical Information and Modeling (2023), DOI: 10.1021/acs.jcim.3c01080

  9. Swapna Debnath, S.R. Vignesh, Dinesh Kumar, Babulal Das, Prema Vasudeva*, Priyadarshi Satpati*, Sunanda Chatterjee*. "Ambidexterity and Left-handedness Induced by Geminally Di-substituted Gamma Amino Acid Residues in Chiral 310 Helices". ACS Omega (2023), DOI: 10.1021/acsomega.3c05124

  10. Suvankar Ghosh, Tanumoy Sarkar, Sunanda Chatterjee*, Priyadarshi Satpati*. "Bridging Thermodynamics, Antimicrobial Activity, and pH Sensitivity of Cationic Membranolytic Hepta-Peptides – A Computational and Experimental Study". Journal of Chemical Information and Modeling (2023), DOI: 10.1021/acs.jcim.2c01419

  11. Swapna Debnath, S.R. Vignesh, Priyadarshi Satpati*, Sunanda Chatterjee*. "Position of Geminal Substitution of γ Amino Acid Residues Modulates Their Ability to Form Isolated Non-Helical C12 β-turn Mimics". ChemistrySelect (2023), DOI: 10.1002/slct.202204255

  12. Shreya Bhattacharya, Priyadarshi Satpati*. "Insights into the mechanism of CRISPR/Cas9 based genome editing from Molecular Dynamics Simulations". ACS Omega (2022), DOI: 10.1021/acsomega.2c05583

  13. Abhishek Kumar, Priyadarshi Satpati*. "Structure-Based Thermodynamics of Ion Selectivity (Mg2+ versus Ca2+ and K+ versus Na+) in the active site of the eukaryotic lariat group II intron from algae Pylaiella littoralis". Phys. Chem. Chem. Phys (2022) DOI: 10.1039/D2CP03472G

  14. Suvankar Ghosh, Sunanda Chatterjee*, Priyadarshi Satpati*. "Effect of Monovalent Salt on the Energetics of Antimicrobial-Peptide: Micelle Dissociation". Phys. Chem. Chem. Phys (2022) DOI: 10.1039/D2CP02735F

  15. Suvankar Ghosh, Sunanda Chatterjee*, Priyadarshi Satpati*. "Effect of Leu/Val Mutation on the Energetics of Anti-microbial Peptide:Micelle Binding". J. Phys. Chem. B. (2022) DOI: 10.1021/acs.jpcb.2c01293

  16. Swapna Debnath, Suvankar Ghosh, Dinesh Kumar, Prema G Vasudev*, Priyadarshi Satpati* and Sunanda Chatterjee*. "Effect of differential backbone di-substitution of gamma amino acid residues on the conformation and assembly of their Fmoc derivatives in solid and solution states", Chemistry - An Asian Journal. (2022) DOI: 10.1002/asia.202200356

  17. Gopal Pandit, Tanumoy Sarkar, Vignesh S.R., Swapna Debnath, Priyadarshi Satpati* and Sunanda Chatterjee*. "Delineating the Mechanism of Action of a Protease Resistant and Salt Tolerant Synthetic Antimicrobial Peptide against Pseudomonas aeruginosa". ACS Omega 7 (2022): 15951−15968 DOI: 10.1021/acsomega.2c01089

  18. Suvankar Ghosh, Swapna Debnath, Gopal Pandit, Sunanda Chatterjee* and Priyadarshi Satpati*. "Effect of Monovalent Salt Concentration and Peptide Secondary Structure in Peptide-Micelle Binding." RSC Adv., 11 (2021): 36836-36849. DOI: 10.1039/D1RA06772A

  19. Abhishek Kumar, and Priyadarshi Satpati*. " Divalent Metal-ion Selectivity of CRISPR-Cas System Associated Cas1 Protein- Insights from Classical Molecular Dynamics Simulations and Electronic Structure Calculations." J. Phys. Chem. B. (2021). DOI: 10.1021/acs.jpcb.1c07744

  20. Swapna Debnath, Suvankar Ghosh, Gopal Pandit, Priyadarshi Satpati*, and Sunanda Chatterjee*. "Effect of Differential Geminal Substitution of γ Amino Acid Residues at the (i+ 2) Position of αγ Turn Segments on the Conformation of Template β-Hairpin Peptides." The Journal of Organic Chemistry (2021). DOI: 10.1021/acs.joc.1c00351

  21. Suvankar Ghosh, Debojit Bhattacherjee, Priyadarshi Satpati*, and Krishna Pada Bhabak*."Venetoclax: A Promising Repurposed Drug Against SARS-CoV-2 Main Protease." Journal of Biomolecular Structure & Dynamics. (2021) DOI: 10.1080/07391102.2021.1967786

  22. Riddhi Banerjee, Abhishek Kumar, Priyadarshi Satpati, and Shirisha Nagotu*. "Mimicking human Drp1 disease-causing mutations in yeast Dnm1 reveals altered mitochondrial dynamics." Mitochondrion (2021): S1567-7249. DOI: 10.1016/j.mito.2021.06.009

  23. Suvankar Ghosh, T. Atchuta Ramarao, Pralok K. Samanta, Anjali Jha*, Priyadarshi Satpati*, and Anik Sen*. "Triazole Based Isatin Derivatives as Potential Inhibitor of Key Cancer promoting Kinases-Insight from Electronic Structure, Docking and Molecular Dynamics Simulations." Journal of Molecular Graphics and Modelling (2021): 107944. DOI: 10.1016/j.jmgm.2021.107944

  24. Kumar Gaurav, Tiasha Adhikary, and Priyadarshi Satpati*. "dUMP/F-dUMP Binding to Thymidylate Synthase: Human Versus Mycobacterium tuberculosis." ACS omega 5, no. 28 (2020): 17182-17192. DOI: 10.1021/acsomega.0c01224

  25. Nasim Akhtar, Nirmalya Pradhan, Ganesh Kumar Barik, Soumya Chatterjee, Suvankar Ghosh, Abhishek Saha, Priyadarshi Satpati, Arindam Bhattacharyya, Manas Kumar Santra, and Debasis Manna*. "Quinine-Based Semisynthetic Ion Transporters with Potential Antiproliferative Activities." ACS Applied Materials & Interfaces 12, no. 23 (2020): 25521-25533. DOI: 10.1021/acsami.0c01259

  26. Abhishek Kumar, and Priyadarshi Satpati*. "Mg2+ vs Ca2+ bound active site of group II intron–A MD study." Journal of Molecular Graphics and Modelling 97 (2020): 107546. DOI: 10.1016/j.jmgm.2020.107546

  27. Gopal Pandit, Karishma Biswas, Suvankar Ghosh, Swapna Debnath, Anil P. Bidkar, Priyadarshi Satpati*, Anirban Bhunia*, and Sunanda Chatterjee*. "Rationally designed antimicrobial peptides: Insight into the mechanism of eleven residue peptides against microbial infections." Biochimica et Biophysica Acta (BBA)-Biomembranes 1862, no. 4 (2020): 183177. DOI: 10.1016/j.bbamem.2020.183177

  28. Saransh Shukla, Amit Kumar, Debasish Das, and Priyadarshi Satpati*. "Principle of DNA recognition by sporulation-regulatory protein (Spo0A) in Bacillus subtilis." Journal of Biomolecular Structure and Dynamics 38, no. 17 (2020): 5186-5194. DOI: 10.1080/07391102.2019.1696890

  29. Amit Kumar, and Priyadarshi Satpati*. "Why double-stranded RNA with 5′-monophosphate is a poor binder to retinoic acid-inducible gene-I with respect to 5′-hydroxyl analogue?." Journal of Biomolecular Structure and Dynamics 38, no. 13 (2020): 4048-4055. DOI: 10.1080/07391102.2019.1671225

  30. Amit Kumar, Johan Åqvist*, and Priyadarshi Satpati*. "Principles of tRNAAla Selection by Alanyl–tRNA Synthetase Based on the Critical G3· U70 Base Pair." ACS omega 4, no. 13 (2019): 15539-15548. DOI: 10.1021/acsomega.9b01827

  31. Abhishek Kumar, Debaditya Mukherjee, and Priyadarshi Satpati*. "Mutations in Parkinson’s Disease Associated Protein DJ-1 Alter the Energetics of DJ-1 Dimerization." Journal of chemical information and modeling 59, no. 4 (2019): 1497-1507. DOI: 10.1021/acs.jcim.8b00687

  32. Karabi Roy, Suvankar Ghosh, Monikha Chetia, Priyadarshi Satpati*, and Sunanda Chatterjee*. "Dicyclohexylurea derivatives of amino acids as dye absorbent organogels and anion sensors." Organic & biomolecular chemistry 17, no. 11 (2019): 3026-3039. DOI: 10.1039/C9OB00014C

  33. Christoffer Lind, Mauricio Esguerra, Willem Jespers, Priyadarshi Satpati, Hugo Gutierrez-de-Terán, and Johan Åqvist*. "Free energy calculations of RNA interactions." Methods 162 (2019): 85-95. DOI: 10.1016/j.ymeth.2019.02.014

  34. Gopal Pandit, Humaira Ilyas, Suvankar Ghosh, Anil P. Bidkar, Sk Abdul Mohid, Anirban Bhunia*, Priyadarshi Satpati*, and Sunanda Chatterjee*. "Insights into the Mechanism of Antimicrobial Activity of Seven-Residue Peptides." Journal of medicinal chemistry 61, no. 17 (2018): 7614-7629. DOI: 10.1021/acs.jmedchem.8b00353

  35. Abhishek Kumar, and Priyadarshi Satpati*. "Principle of K+/Na+ selectivity in the active site of group II intron at various stages of self-splicing pathway." Journal of Molecular Graphics and Modelling 84 (2018): 1-9. DOI: 10.1016/j.jmgm.2018.05.003

  36. Amit Kumar, and Priyadarshi Satpati*. "Energetics of preferential binding of retinoic acid-inducible gene-I to double-stranded viral RNAs with 5′ Tri-/Diphosphate over 5′ Monophosphate." ACS omega 3, no. 4 (2018): 3786-3795. DOI: 10.1021/acsomega.7b02019

  37. Buddahdeb Mondal, Keshab Mondal, Priyadarshi Satpati*, and Subhas Chandra Pan*. "Organocatalytic Asymmetric Dimerization of γ-Hydroxyenones to Acetals and Theoretical Investigations into the Diastereoselection." European Journal of Organic Chemistry 2017, no. 47 (2017): 7101-7106. DOI: 10.1002/ejoc.201701439

  38. Amit Kumar, Debadrita Basu, and Priyadarshi Satpati*. "Structure-Based Energetics of Stop Codon Recognition by Eukaryotic Release Factor." Journal of chemical information and modeling 57, no. 9 (2017): 2321-2328. DOI: 10.1021/acs.jcim.7b00340

    39. Before joining IIT Guwahati

  39. T. Simonson, A. Aleksandrov, P. Satpati, Electrostatic free energies in translational GTPases: classic allostery and the rest. Biochim Biophys Acta, 1850, 1006-1016 (2015)

  40. P. Satpati, J. Åqvist, Why base tautomerization does not cause errors in mRNA decoding on the ribosome. Nucleic Acids Research, 42, 12876-12884 (2014)

  41. P. Satpati, P. Bauer, J. Åqvist, Energetic tuning by tRNA modifications ensures correct decoding of isoleucine and methionine on the ribosome. Chem. Eur. J, 20, 10271-10275 (2014)

  42. P. Satpati, J. Sund, J. Åqvist, Structure-Based Energetics of mRNA Decoding on the Ribosome, Biochemistry, 53, 1714-1722 (2014)

  43. T. Simonson & P. Satpati, Simulating GTP:Mg and GDP:Mg with a simple force field: a structural and thermodynamic analysis, J. Comput. Chem, 34, 836-846 (2013)

  44. T. Simonson & P. Satpati, Nucleotide recognition by the initiation factor aIF5B: free energy simulations of a neo-classical GTPase, Proteins, 80, 2742-2757 (2012)

  45. P. Satpati & T. Simonson, Conformational selection through electrostatics: free energy simulations of GTP and GDP binding to archaeal Initiation Factor 2, Proteins, 80, 1264-1282 (2012)

  46. P. Satpati & T. Simonson, Conformational selection by the aIF2 GTPase: a molecular dynamics study of functional pathways, Biochemistry, 51, 353-361 (2012)

  47. P Satpati, C. Clavaguera, G. Ohanessian, T. Simonson, Free Energy Simulations of a GTPase: GTP and GDP Binding to Archaeal Initiation Factor 2, J. Phys. Chem. B. 115, 6749-6763 (2011)

  48. P. Satpati*, Stable complex C2H4Al4Li3- and its similarity with bicyclo[2.2.0] hex-2-ene: A DFT study, Int. J. Quant. Chem, 111, 4241-4246 (2011)

  49. P.Satpati*, Possibility of proton passage through all metal aromatic Al42- ring in HAl4-, Int. J. Quant. Chem , 111, 3816-3820 (2011)

  50. P. Satpati* and K. L. Sebastian, Stabilization of an all-metal antiaromatic molecule (Al4Li4) using BH and C as caps, Inorganic Chemistry. 47, 2098-2102 (2008)

  51. P. Satpati*, Structure and bonding of MCB5H7 and its sandwiched dimer CB5H6M-MCB5H6 (M = Si, Ge, Sn): Isomer stability and preference for slip distorted structure, Journal of Organometallic Chemistry, 693, 1159-1165 (2008)

  52. P. Satpati* and K. L. Sebastian, Tunneling of three borons in a B12 cluster, Journal Of Molecular Structure : THEOCHEM 823, 74-77 (2007)

  53. P.Satpati*, Dcab2- Substituted Manganese Vinylidene complexes as better electron reservoirs: A DFT study, Organometallics. 26, 4771-4775 (2007)
© 2017 Dr. Satpati's Lab
Designed by Suvankar