Main objective of our research group is to investigate chemical and biological macromolecular systems using spectroscopic, microscopic and computational methods. We use fluorescence based steady state and time resolved spectroscopy and microscopy techniques to understand interactions between key biomolecules such as proteins, DNA and RNA.
Our research objectives include;
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Characterization of the excited-state photophysical properties of molecules.
Fluorescence spectroscopy and structural dynamics of serum and milk proteins.
Biophysical analysis of protein-DNA/RNA interactions.
Structural and dynamics impact of epigenetic modifications on DNA.
Development of chemical tools for biomolecular imaging and biosensing applications.
Exploring the luminescence behavior of nanomaterials such as graphene oxides, carbon dots and nanocrystals.
Publications
Madushmita Hatimuria, Jyoti Vishwakarma, Akshara Mohan, Riya R. Krishnan, C. Nikesh Chandran, Krishna Gavvala*, Ashok Pabbathi*
Laccase Stability and Activity in Diol-based Deep Eutectic Solvents: An Experimental and Computational Study
Int. J. Biol. Macromol., 2026, 338, 149711.
Dineshbabu Takkella, Javier Cerezo, Lara Martinez-Fernandez*, Krishna Gavvala*
New Insights into the Structure and Dynamics of the Epigenetic Modifications on DNA
RSC Chem. Biol., 2025, 6, 1927.
Dineshbabu Takkella, Krishna Gavvala*
Deciphering Structural Dynamics of DNA-Surfactant Interactions Using the Isomorphic Nucleobase Analogue
Langmuir, 2025, 41, 30880.
Sudhanshu Sharma, Dineshbabu Takkella, Jyoti Vishwakarma, Krishna Gavvala*
Influence of Bovine Liver Catalase on Self-Assembled Structures of a Surface Active Ionic Liquid
Langmuir, 2025, 41, 10177.
Dipanjan Mukherjee, Stefano Ciaco, Lara Martinez-Fernandez, Krishna Gavvala, Elisa Bombarda, Aurélie Bourdérioux, Dmytro Dziuba, Fabien Hanser, Nicolas Humbert, Aqib Javed, Marc Mousli, Pankhi Singh, Yitzhak Tor, Roberto Improta, Mattia Mori, Yves Mély*
Decoding the Base Flipping Mechanism of the SET- and RING-Associated (SRA) Domain of the Epigenetic UHRF1 Protein
Nucleic Acids Res., 2025, 53, gkaf909.
Dineshbabu Takkella, Jyoti Vishwakarma, Krishna Gavvala*
Effect of PEG-Induced Liquid–Liquid Phase Separation on DNA–Topotecan Interactions
J. Phys. Chem. B, 2025, 129, 11636.
Thor van Heesch, Sudhanshu Sharma, Bert van Erp, Alberto Pérez de Alba Ortíz, Remus T Dame*, Jocelyne Vreede*, Krishna Gavvala*
Adaptation of DNA to Protein Binding Revealed by Spectroscopy and Molecular Simulation
J. Phys. Chem. B, 2025, 129, 5653.
Sudhanshu Sharma, Jyoti Vishwakarma, Jacek Czub, Subrahmanyam Sappati*, Krishna Gavvala*
Elucidation of the Synergistic Interaction Between Bilirubin and Casein Protein: An Integrated Spectroscopy and Computational Approach
Biomacromolecules, 2025, 26, 5298.
Sudhanshu Sharma, Dineshbabu Takkella, Benoit Y. Michel, AlainBurger, Krishna Gavvala*
Biophysical Aspects of 3-Hydroxychromone-Based Uracil's Interaction with the Serum Protein
J. Photochem. Photobiol. A., 2025, 116832.
Dineshbabu Takkella, Sudhanshu Sharma, Krishna Gavvala*
Coumarin 153, a Solvatochromic Fluorescent Probe, for Analyzing the Biodiesel Blends Derived from Various Feedstocks
Spectrochim. Acta. A., 2025, 330, 125755.
Dineshbabu Takkella, Sudhanshu Sharma, Jyoti Vishwakarma, Krishna Gavvala*
Bile Salt Induced Aggregation and Nanostructure Formation of β-Lactoglobulin in Gastrointestinal Environments
Food Hydrocoll., 2025, 162, 110944.
Madushmita Hatimuria, Jyoti Vishwakarma, Sudhanshu Sharma, Krishna Gavvala, Ashok Pabbathi*
Natural Deep Eutectic Solvent Acts as an Activator of Laccase Enzyme
J. Mol. Liq., 2025, 434, 128022.
Madushmita Hatimuria, Jyoti Vishwakarma, Dineshbabu Takkella, C. Nikesh Chandran, Plabana Phukan, Krishna Gavvala*, Ashok Pabbathi*
Repurposing of Approved Drugs towards Nipah Virus Treatment: An In Silico Docking, Molecular Dynamics Simulation and a MM/GBSA Approach
In Silico Pharmacology, 2025, 13, 1.
Dineshbabu Takkella, Mayur Suryawanshi, Meghna Mani, Satheesh Ellipilli*, Krishna Gavvala*
Carbazole-Rhodanine Conjugate Acts as an Effective Fluorescence Biomarker for Protein Structural Dynamics Studies
Int. J. Biol. Macromol., 2025, 323, 147156.
Jyoti Vishwakarma, Sudhanshu Sharma, Dineshbabu Takkella, Krishna Gavvala*
Unveiling Differential Interaction Pattern for Iminium and Alkanolamine Forms of Sanguinarine with β-Lactoglobulin Protein
Int. J. Biol. Macromol., 2024, 283, 137721.
Sudhanshu Sharma, Dineshbabu Takkella, Abhinav Srivastava, Jacek Czub, Subrahmanyam Sappati*, Krishna Gavvala*
Unraveling Energy Transfer and Fluorescence Quenching Dynamics in Biomolecular Complexes: A Comprehensive Study of Imiquimod-Rifampicin Interaction
Phys. Chem. Chem. Phys., 2024, 26, 26291.
Dineshbabu Takkella, Sudhanshu Sharma, Satyanarayana Samireddi*, Krishna Gavvala*
Probing Photoinduced Electron Transfer Events in Phenylferrocene-Corrole Dyad
Phys. Chem. Chem. Phys., 2024, 26, 21688.
Dineshbabu Takkella, Lara Martinez-Fernandez, Krishna Gavvala*
Solvent Effect on the Excited State Photophysics of Imiquimod: a DFT/TD-DFT and Spectroscopic Study
J. Photochem. Photobiol. A., 2024, 457, 115928.
Sudhanshu Sharma, Dineshbabu Takkella, Krishna Gavvala*
Probing Ionic Liquid Based Micellar Structures Using the Photophysical Properties of a Plant Alkaloid: Spectroscopy and Microscopy Based Approach
J. Mol. Liq., 2024, 401, 124632.
Jyoti Vishwakarma, Dineshbabu Takkella, Sudhanshu Sharma, Krishna Gavvala*
Modulation of Excimer Formation and Photostability of Avobenzone inside the Nanocavities of Cyclodextrins
J. Photochem. Photobiol. A., 2024, 449, 115411.
Dineshbabu Takkella, Sudhanshu Sharma, Jyoti Vishwakarma, Javier Cerezo, Lara Martinez-Fernandez, Krishna Gavvala*
Unveiling the Interaction Modes of Imiquimod with DNA: Biophysical and Computational Studies
J. Photochem. Photobiol. A., 2024, 447, 115190.
Sudhanshu Sharma, Dineshbabu Takkella, Jyoti Vishwakarma, Krishna Gavvala*
Spectroscopy and Dynamics of beta-Lactoglobulin Complexed with Rifampicin
J. Biomol. Struct. Dyn., 2023, 42, 13460.
Dineshbabu Takkella, Sudhanshu Sharma, Radoslaw Krzemieniecki, Ashok Pabbathi, Subrahmanyam Sappati, Krishna Gavvala*
Targeting Spike-ACE2 Interface of SARS-CoV-2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
ChemistrySelect, 2023, 8 (32), e202302687.
Madushmita Hatimuria, Joydeep Das, Krishna Gavvala, Soumabha Bag, Ashok Pabbathi*
Recent Advances in the use of Laccase Enzyme in Deep Eutectic Solvents
Sustain. Chem. Pharm., 2023, 33, 101148.
Madushmita Hatimuria, Plabana Phukan, Soumabha Bag, Jyotirmoy Ghosh, Krishna Gavvala, Ashok Pabbathi*, Joydeep Das*
Green Carbon Dots: Applications in Development of Electrochemical Sensors, Assessment of Toxicity as Well as Anticancer Properties
Catalysts, 2023, 13 (3), 537.
Sudhanshu Sharma, Dineshbabu Takkella, Pintu Kumar, Krishna Gavvala*
Spectroscopic Analysis to Identify the Binding Site for Rifampicin on Bovine Serum Albumin
Spectrochim. Acta. A., 2022, 283, 121721.
Dineshbabu Takkella, Sudhanshu Sharma, Lara Martinez-Fernandez*, Krishna Gavvala*
Excited-State Dynamics of Imiquimod in Aqueous Solutions
J. Photochem. Photobiol. A., 2022, 431, 113998.
Stefano Ciaco, Krishna Gavvala, Vanille Greiner, Viola Mazzoleni, Pascal Didier, Marc Ruff, Lara Martinez-Fernandez, Roberto Improta, Yves Mély*
Thienoguanosine Brightness in DNA Duplexes is Governed by the localization of its ππ* Excitation in the Lowest Energy Absorption Band
Methods Appl. Fluoresc., 2022, 10, 035003.
Publications from PhD and Postdoc Works
R. Bhujbalrao, K. Gavvala, R. K. Singh, J. Singh, C. Boudier, S. Chakrabarti, G. N. Patwari*, Y. Mély*, R. Anand*
Identification of Allosteric Hotspots Regulating the Ribosomal RNA Binding by Antibiotic Resistance-Conferring Erm Methyltransferases
J. Biol. Chem. 2022, 298, 102208.
J. Kuchlyan, L. M. Fernandez, M. Mori, K. Gavvala, S. Ciaco, C. Boudier, L. Richert, P. Didier, Y. Tor, R. Improta, Y. Mély*
What Makes Thienoguanosine an Outstanding Fluorescent DNA Probe?
J. Am. Chem. Soc., 2020, 142, 16999-17014.
L. Zaayter, M. Mori, T. Ahmad, W. Ashraf, C. Boudier, V. Kilin, K. Gavvala, S. Eiler, M. Ruff, M. Botta, C. Bronner, M. Mousli*, Y. Mély*
A Molecular Tool Targeting the Base‐Flipping Activity of Human UHRF1
Chem. Eur. J., 2019, 25, 13363-13375.
L. M. Fernandez, K. Gavvala, R. Sharma, P. Didier, L. Richert, S. Martì, M. Mori, Y. Mely,* R. Improta*
Excited State Dynamics of Thienoguanosine, an Isomorphic Highly Fluorescent Analogue of Guanosine.
Chem. Eur. J., 2019, 25, 7375-7386.
L. Zargarian, A. B. Imeddourene, K. Gavvala, N. P.F. Barthes, B. Y. Michel, C. A. Kenfack, N. Morellet, B. René, P. Fossé, A. Burger, Y. Mély, O. Mauffret*
Structural and Dynamical Impact of a Universal Fluorescent Nucleoside Analogue Inserted into a DNA Duplex
J. Phys. Chem. B, 2017, 121, 11249-11261.
V. Kilin, K. Gavvala, N. P.F. Barthes, B. Y. Michel, D. Shin, C. Boudier, O. Mauffret, V. Yashchuk, M. Mousli, M. Ruff, F. Granger, S. Eiler, C. Bronner, Y. Tor, A. Burger, Y. Mély*
Dynamics of Methylated Cytosine Flipping by UHRF1.
J. Am. Chem. Soc., 2017, 139, 2520-2528.
N. P. F. Barthes, K. Gavvala, D. Bonhomme, A. S. Dabert-Gay, D. Debayle, Y. Mély, B. Y. Michel,* A. Burger*
Design and Development of a Two-color Emissive FRET Pair Based on a Photostable Fluorescent Deoxyuridine Donor Presenting Mega-Stokes Shifts.
J. Org. Chem., 2016, 81, 10733-10741.
K. Gavvala†, N. P. F. Barthes†, D. Bonhomme, A. S. Dabert-Gay, D. Debayle, B. Y. Michel, A. Burger*, Y. Mély*
A Turn-On Dual Emissive Nucleobase Sensitive to Mismatches and Duplex Conformational Changes.
RSC Adv. 2016, 6, 87142-87146.
N. P. F. Barthes†, K. Gavvala†, D. Dziuba, D. Bonhomme, I. A. Karpenko, A. S. Dabert-Gay, D. Debayle, A. P. Demchenko, R. Benhida, B. Y. Michel, Y. Mély*, A. Burger*
Dual Emissive Analogue of Deoxyuridine as a Sensitive Hydration-Reporting Probe for Discriminating Mismatched from Matched DNA and DNA/DNA from DNA/RNA Duplexes.
J. Mater. Chem. C, 2016, 4, 3010-3017.
K. Gavvala*, S. Satpathi
Acetylcholine Induced Interplay of an Anticancer Drug between Cucurbit[7]uril and DNA.
J. Lumin., 2016, 171, 234-237.
R. K. Koninti, S. Sappati, S. Satpathi, K. Gavvala, P. Hazra*
Spectroscopy and Dynamics of Cryptolepine in the Nanocavity of Cucurbit[7]uril and DNA.
ChemPhysChem, 2016, 17, 506-515.
S. Satpathi, K. Gavvala, P. Hazra*
Fluorescence Up-Conversion Studies of [2,2′-Bipyridyl]-3,3′-diol in Octyl-β-d-glucoside and Other Micellar Aggregates.
J. Phys. Chem. A, 2015, 119, 12715-12721.
B. Roy, S. Satpathi, K. Gavvala, R. K. Koninti, P. Hazra*
Solvation Dynamics in Different Phases of the Lyotropic Liquid Crystalline System.
J. Phys. Chem. B, 2015, 119, 11721-11731.
R. K. Koninti, K. Gavvala, A. Sengupta, P. Hazra*
Excited State Proton Transfer Dynamics of Topotecan Inside Biomimicking Nanocavity.
J. Phys. Chem. B, 2015, 119, 2363-2371.
S. Satpathi, K. Gavvala, P. Hazra*
Fluorescence switching of sanguinarine in micellar environments.
Phys. Chem. Chem. Phys., 2015, 17, 20725-20732.
K. Gavvala, S. Satpathi, P. Hazra*
pH Responsive Translocation of an Anticancer Drug between Cyclodextrin and DNA.
RSC Adv., 2015, 5, 98080-98086.
K. Gavvala, S. Satpathi, P. Hazra*
Ultrafast Dynamics of a Molecular Rotor in Chemical and Biological Nanocavities.
RSC Adv., 2015, 5, 72793-72800.
S. Satpathi, A. Sengupta, V. M. Hridya, K. Gavvala, R. K. Koninti, B. Roy, P. Hazra*
A Green Solvent Induced DNA Package.
Sci. Rep., 2015, 5:09137.
H. Joshi, A. Sengupta, K. Gavvala, P. Hazra*
Unraveling the Mode of Binding of the Anticancer Drug Topotecan with dsDNA.
RSC Adv., 2014, 4, 1015-1024.
V. Kumar, A. Sengupta, K. Gavvala, R. K. Koninti, P. Hazra*
Spectroscopic and Thermodynamic Insights into the Interaction between Proflavine and Human Telomeric G-Quadruplex DNA.
J. Phys. Chem. B, 2014, 118, 11090-11099.
Sengupta, R. K. Singh, K. Gavvala, R. K. Koninti, A. Mukherjee,* P. Hazra*
Urea Induced Unfolding Dynamics of Flavin Adenine Dinucleotide (FAD): Spectroscopic and Molecular Dynamics Simulation Studies from Femto-second to Nano-second Regime.
J. Phys. Chem. B, 2014, 118, 1881-1890.
R. K. Koninti, A. Sengupta, K. Gavvala, N. Ballav, P. Hazra*
Loading of an Anticancer Drug onto Graphene Oxide and Subsequent Release to DNA/RNA: A Direct Optical Detection.
Nanoscale, 2014, 6, 2937-2944.
K. Gavvala, R. K. Koninti, A. Sengupta, P. Hazra*
Excited State Proton Transfer Dynamics of an Eminent Anticancer Drug, Ellipticine, in Octyl Glucoside Micelle.
Phys. Chem. Chem. Phys., 2014, 16, 14953-14960.
A.Sengupta, R. K. Koninti, K. Gavvala, N. Ballav, P. Hazra*
An Anticancer Drug to Probe Non-Specific Protein–DNA Interactions.
Phys. Chem. Chem. Phys., 2014, 16, 3914-3917.
K. Gavvala, R. K. Koninti, A. Sengupta, P. Hazra*
Cucurbit [7] uril Assisted Ultraviolet to Visible Fluorescence Switch of a Heart Medicine.
Phys. Chem. Chem. Phys., 2014, 16, 2823-2826.
K. Gavvala, A. Sengupta, R. K. Koninti, P. Hazra*
Femtosecond to Nanosecond Dynamics of 2,2`-bipyridine-3,3-diol inside the Nanocavities of Molecular Containers.
Phys. Chem. Chem. Phys., 2014, 16, 933-939.
A. Sengupta, K. Gavvala, R. K. Koninti, P. Hazra*
Role of Mg+2 Ions over Flavin Recognition by RNA Aptamer: A Spectroscopic and Thermodynamic Glimpse.
J. Photochem. Photobiol. B, 2014, 140, 240-248.
A. Sengupta*, K. Gavvala, R. K. Koninti, H. Chaudhuri, P. Hazra
Folding Dynamics of Flavin Adenine Dinucleotide (FAD) inside Non-Aqueous and Aqueous Reverse Micelles.
Chem. Phys. Lett., 2013, 584, 67-73.
K. Gavvala, A. Sengupta, R. K. Koninti, P. Hazra*
Prototropical and Photophysical Properties of an Anticancer Drug, Ellipticine inside the Nanocavities of Molecular Containers.
J. Phys. Chem. B, 2013, 117, 14099-14107.
K. Gavvala, W. D. Sasikala, A. Sengupta, S. A. Dalvi, A. Mukherjee, P. Hazra*
Modulation of Excimer Formation of 9-(dicyano-vinyl) julolidine by the Macrocyclic Hosts.
Phys. Chem. Chem. Phys., 2013, 15, 330-340.
K. Gavvala, A. Sengupta, R. K. Koninti, P. Hazra*
Supramolecular Host‐Inhibited Excited State Proton Transfer and Fluorescence Switching of the Anticancer Drug, Topotecan.
ChemPhysChem, 2013, 14, 3375-3383.
K. Gavvala, A. Sengupta, P. Hazra*
Modulation of Photophysics and pKa Shift of the Anticancer Drug, Camptothecin in the Nanocavities of Supramolecular Hosts.
ChemPhysChem, 2013, 14, 532-542.
Madushmita Hatimuria, Jyoti Vishwakarma, Akshara Mohan, Riya R. Krishnan, C. Nikesh Chandran, Krishna Gavvala*, Ashok Pabbathi*
Laccase Stability and Activity in Diol-based Deep Eutectic Solvents: An Experimental and Computational Study
Int. J. Biol. Macromol., 2026, 338, 149711.
Dineshbabu Takkella, Javier Cerezo, Lara Martinez-Fernandez*, Krishna Gavvala*
New Insights into the Structure and Dynamics of the Epigenetic Modifications on DNA
RSC Chem. Biol., 2025, 6, 1927.
Dineshbabu Takkella, Krishna Gavvala*
Deciphering Structural Dynamics of DNA-Surfactant Interactions Using the Isomorphic Nucleobase Analogue
Langmuir, 2025, 41, 30880.
Sudhanshu Sharma, Dineshbabu Takkella, Jyoti Vishwakarma, Krishna Gavvala*
Influence of Bovine Liver Catalase on Self-Assembled Structures of a Surface Active Ionic Liquid
Langmuir, 2025, 41, 10177.
Dipanjan Mukherjee, Stefano Ciaco, Lara Martinez-Fernandez, Krishna Gavvala, Elisa Bombarda, Aurélie Bourdérioux, Dmytro Dziuba, Fabien Hanser, Nicolas Humbert, Aqib Javed, Marc Mousli, Pankhi Singh, Yitzhak Tor, Roberto Improta, Mattia Mori, Yves Mély*
Decoding the Base Flipping Mechanism of the SET- and RING-Associated (SRA) Domain of the Epigenetic UHRF1 Protein
Nucleic Acids Res., 2025, 53, gkaf909.
Dineshbabu Takkella, Jyoti Vishwakarma, Krishna Gavvala*
Effect of PEG-Induced Liquid–Liquid Phase Separation on DNA–Topotecan Interactions
J. Phys. Chem. B, 2025, 129, 11636.
Thor van Heesch, Sudhanshu Sharma, Bert van Erp, Alberto Pérez de Alba Ortíz, Remus T Dame*, Jocelyne Vreede*, Krishna Gavvala*
Adaptation of DNA to Protein Binding Revealed by Spectroscopy and Molecular Simulation
J. Phys. Chem. B, 2025, 129, 5653.
Sudhanshu Sharma, Jyoti Vishwakarma, Jacek Czub, Subrahmanyam Sappati*, Krishna Gavvala*
Elucidation of the Synergistic Interaction Between Bilirubin and Casein Protein: An Integrated Spectroscopy and Computational Approach
Biomacromolecules, 2025, 26, 5298.
Sudhanshu Sharma, Dineshbabu Takkella, Benoit Y. Michel, AlainBurger, Krishna Gavvala*
Biophysical Aspects of 3-Hydroxychromone-Based Uracil's Interaction with the Serum Protein
J. Photochem. Photobiol. A., 2025, 116832.
Dineshbabu Takkella, Sudhanshu Sharma, Krishna Gavvala*
Coumarin 153, a Solvatochromic Fluorescent Probe, for Analyzing the Biodiesel Blends Derived from Various Feedstocks
Spectrochim. Acta. A., 2025, 330, 125755.
Dineshbabu Takkella, Sudhanshu Sharma, Jyoti Vishwakarma, Krishna Gavvala*
Bile Salt Induced Aggregation and Nanostructure Formation of β-Lactoglobulin in Gastrointestinal Environments
Food Hydrocoll., 2025, 162, 110944.
Madushmita Hatimuria, Jyoti Vishwakarma, Sudhanshu Sharma, Krishna Gavvala, Ashok Pabbathi*
Natural Deep Eutectic Solvent Acts as an Activator of Laccase Enzyme
J. Mol. Liq., 2025, 434, 128022.
Madushmita Hatimuria, Jyoti Vishwakarma, Dineshbabu Takkella, C. Nikesh Chandran, Plabana Phukan, Krishna Gavvala*, Ashok Pabbathi*
Repurposing of Approved Drugs towards Nipah Virus Treatment: An In Silico Docking, Molecular Dynamics Simulation and a MM/GBSA Approach
In Silico Pharmacology, 2025, 13, 1.
Dineshbabu Takkella, Mayur Suryawanshi, Meghna Mani, Satheesh Ellipilli*, Krishna Gavvala*
Carbazole-Rhodanine Conjugate Acts as an Effective Fluorescence Biomarker for Protein Structural Dynamics Studies
Int. J. Biol. Macromol., 2025, 323, 147156.
Jyoti Vishwakarma, Sudhanshu Sharma, Dineshbabu Takkella, Krishna Gavvala*
Unveiling Differential Interaction Pattern for Iminium and Alkanolamine Forms of Sanguinarine with β-Lactoglobulin Protein
Int. J. Biol. Macromol., 2024, 283, 137721.
Sudhanshu Sharma, Dineshbabu Takkella, Abhinav Srivastava, Jacek Czub, Subrahmanyam Sappati*, Krishna Gavvala*
Unraveling Energy Transfer and Fluorescence Quenching Dynamics in Biomolecular Complexes: A Comprehensive Study of Imiquimod-Rifampicin Interaction
Phys. Chem. Chem. Phys., 2024, 26, 26291.
Dineshbabu Takkella, Sudhanshu Sharma, Satyanarayana Samireddi*, Krishna Gavvala*
Probing Photoinduced Electron Transfer Events in Phenylferrocene-Corrole Dyad
Phys. Chem. Chem. Phys., 2024, 26, 21688.
Dineshbabu Takkella, Lara Martinez-Fernandez, Krishna Gavvala*
Solvent Effect on the Excited State Photophysics of Imiquimod: a DFT/TD-DFT and Spectroscopic Study
J. Photochem. Photobiol. A., 2024, 457, 115928.
Sudhanshu Sharma, Dineshbabu Takkella, Krishna Gavvala*
Probing Ionic Liquid Based Micellar Structures Using the Photophysical Properties of a Plant Alkaloid: Spectroscopy and Microscopy Based Approach
J. Mol. Liq., 2024, 401, 124632.
Jyoti Vishwakarma, Dineshbabu Takkella, Sudhanshu Sharma, Krishna Gavvala*
Modulation of Excimer Formation and Photostability of Avobenzone inside the Nanocavities of Cyclodextrins
J. Photochem. Photobiol. A., 2024, 449, 115411.
Dineshbabu Takkella, Sudhanshu Sharma, Jyoti Vishwakarma, Javier Cerezo, Lara Martinez-Fernandez, Krishna Gavvala*
Unveiling the Interaction Modes of Imiquimod with DNA: Biophysical and Computational Studies
J. Photochem. Photobiol. A., 2024, 447, 115190.
Sudhanshu Sharma, Dineshbabu Takkella, Jyoti Vishwakarma, Krishna Gavvala*
Spectroscopy and Dynamics of beta-Lactoglobulin Complexed with Rifampicin
J. Biomol. Struct. Dyn., 2023, 42, 13460.
Dineshbabu Takkella, Sudhanshu Sharma, Radoslaw Krzemieniecki, Ashok Pabbathi, Subrahmanyam Sappati, Krishna Gavvala*
Targeting Spike-ACE2 Interface of SARS-CoV-2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
ChemistrySelect, 2023, 8 (32), e202302687.
Madushmita Hatimuria, Joydeep Das, Krishna Gavvala, Soumabha Bag, Ashok Pabbathi*
Recent Advances in the use of Laccase Enzyme in Deep Eutectic Solvents
Sustain. Chem. Pharm., 2023, 33, 101148.
Madushmita Hatimuria, Plabana Phukan, Soumabha Bag, Jyotirmoy Ghosh, Krishna Gavvala, Ashok Pabbathi*, Joydeep Das*
Green Carbon Dots: Applications in Development of Electrochemical Sensors, Assessment of Toxicity as Well as Anticancer Properties
Catalysts, 2023, 13 (3), 537.
Sudhanshu Sharma, Dineshbabu Takkella, Pintu Kumar, Krishna Gavvala*
Spectroscopic Analysis to Identify the Binding Site for Rifampicin on Bovine Serum Albumin
Spectrochim. Acta. A., 2022, 283, 121721.
Dineshbabu Takkella, Sudhanshu Sharma, Lara Martinez-Fernandez*, Krishna Gavvala*
Excited-State Dynamics of Imiquimod in Aqueous Solutions
J. Photochem. Photobiol. A., 2022, 431, 113998.
Stefano Ciaco, Krishna Gavvala, Vanille Greiner, Viola Mazzoleni, Pascal Didier, Marc Ruff, Lara Martinez-Fernandez, Roberto Improta, Yves Mély*
Thienoguanosine Brightness in DNA Duplexes is Governed by the localization of its ππ* Excitation in the Lowest Energy Absorption Band
Methods Appl. Fluoresc., 2022, 10, 035003.
Publications from PhD and Postdoc Works
R. Bhujbalrao, K. Gavvala, R. K. Singh, J. Singh, C. Boudier, S. Chakrabarti, G. N. Patwari*, Y. Mély*, R. Anand*
Identification of Allosteric Hotspots Regulating the Ribosomal RNA Binding by Antibiotic Resistance-Conferring Erm Methyltransferases
J. Biol. Chem. 2022, 298, 102208.
J. Kuchlyan, L. M. Fernandez, M. Mori, K. Gavvala, S. Ciaco, C. Boudier, L. Richert, P. Didier, Y. Tor, R. Improta, Y. Mély*
What Makes Thienoguanosine an Outstanding Fluorescent DNA Probe?
J. Am. Chem. Soc., 2020, 142, 16999-17014.
L. Zaayter, M. Mori, T. Ahmad, W. Ashraf, C. Boudier, V. Kilin, K. Gavvala, S. Eiler, M. Ruff, M. Botta, C. Bronner, M. Mousli*, Y. Mély*
A Molecular Tool Targeting the Base‐Flipping Activity of Human UHRF1
Chem. Eur. J., 2019, 25, 13363-13375.
L. M. Fernandez, K. Gavvala, R. Sharma, P. Didier, L. Richert, S. Martì, M. Mori, Y. Mely,* R. Improta*
Excited State Dynamics of Thienoguanosine, an Isomorphic Highly Fluorescent Analogue of Guanosine.
Chem. Eur. J., 2019, 25, 7375-7386.
L. Zargarian, A. B. Imeddourene, K. Gavvala, N. P.F. Barthes, B. Y. Michel, C. A. Kenfack, N. Morellet, B. René, P. Fossé, A. Burger, Y. Mély, O. Mauffret*
Structural and Dynamical Impact of a Universal Fluorescent Nucleoside Analogue Inserted into a DNA Duplex
J. Phys. Chem. B, 2017, 121, 11249-11261.
V. Kilin, K. Gavvala, N. P.F. Barthes, B. Y. Michel, D. Shin, C. Boudier, O. Mauffret, V. Yashchuk, M. Mousli, M. Ruff, F. Granger, S. Eiler, C. Bronner, Y. Tor, A. Burger, Y. Mély*
Dynamics of Methylated Cytosine Flipping by UHRF1.
J. Am. Chem. Soc., 2017, 139, 2520-2528.
N. P. F. Barthes, K. Gavvala, D. Bonhomme, A. S. Dabert-Gay, D. Debayle, Y. Mély, B. Y. Michel,* A. Burger*
Design and Development of a Two-color Emissive FRET Pair Based on a Photostable Fluorescent Deoxyuridine Donor Presenting Mega-Stokes Shifts.
J. Org. Chem., 2016, 81, 10733-10741.
K. Gavvala†, N. P. F. Barthes†, D. Bonhomme, A. S. Dabert-Gay, D. Debayle, B. Y. Michel, A. Burger*, Y. Mély*
A Turn-On Dual Emissive Nucleobase Sensitive to Mismatches and Duplex Conformational Changes.
RSC Adv. 2016, 6, 87142-87146.
N. P. F. Barthes†, K. Gavvala†, D. Dziuba, D. Bonhomme, I. A. Karpenko, A. S. Dabert-Gay, D. Debayle, A. P. Demchenko, R. Benhida, B. Y. Michel, Y. Mély*, A. Burger*
Dual Emissive Analogue of Deoxyuridine as a Sensitive Hydration-Reporting Probe for Discriminating Mismatched from Matched DNA and DNA/DNA from DNA/RNA Duplexes.
J. Mater. Chem. C, 2016, 4, 3010-3017.
K. Gavvala*, S. Satpathi
Acetylcholine Induced Interplay of an Anticancer Drug between Cucurbit[7]uril and DNA.
J. Lumin., 2016, 171, 234-237.
R. K. Koninti, S. Sappati, S. Satpathi, K. Gavvala, P. Hazra*
Spectroscopy and Dynamics of Cryptolepine in the Nanocavity of Cucurbit[7]uril and DNA.
ChemPhysChem, 2016, 17, 506-515.
S. Satpathi, K. Gavvala, P. Hazra*
Fluorescence Up-Conversion Studies of [2,2′-Bipyridyl]-3,3′-diol in Octyl-β-d-glucoside and Other Micellar Aggregates.
J. Phys. Chem. A, 2015, 119, 12715-12721.
B. Roy, S. Satpathi, K. Gavvala, R. K. Koninti, P. Hazra*
Solvation Dynamics in Different Phases of the Lyotropic Liquid Crystalline System.
J. Phys. Chem. B, 2015, 119, 11721-11731.
R. K. Koninti, K. Gavvala, A. Sengupta, P. Hazra*
Excited State Proton Transfer Dynamics of Topotecan Inside Biomimicking Nanocavity.
J. Phys. Chem. B, 2015, 119, 2363-2371.
S. Satpathi, K. Gavvala, P. Hazra*
Fluorescence switching of sanguinarine in micellar environments.
Phys. Chem. Chem. Phys., 2015, 17, 20725-20732.
K. Gavvala, S. Satpathi, P. Hazra*
pH Responsive Translocation of an Anticancer Drug between Cyclodextrin and DNA.
RSC Adv., 2015, 5, 98080-98086.
K. Gavvala, S. Satpathi, P. Hazra*
Ultrafast Dynamics of a Molecular Rotor in Chemical and Biological Nanocavities.
RSC Adv., 2015, 5, 72793-72800.
S. Satpathi, A. Sengupta, V. M. Hridya, K. Gavvala, R. K. Koninti, B. Roy, P. Hazra*
A Green Solvent Induced DNA Package.
Sci. Rep., 2015, 5:09137.
H. Joshi, A. Sengupta, K. Gavvala, P. Hazra*
Unraveling the Mode of Binding of the Anticancer Drug Topotecan with dsDNA.
RSC Adv., 2014, 4, 1015-1024.
V. Kumar, A. Sengupta, K. Gavvala, R. K. Koninti, P. Hazra*
Spectroscopic and Thermodynamic Insights into the Interaction between Proflavine and Human Telomeric G-Quadruplex DNA.
J. Phys. Chem. B, 2014, 118, 11090-11099.
Sengupta, R. K. Singh, K. Gavvala, R. K. Koninti, A. Mukherjee,* P. Hazra*
Urea Induced Unfolding Dynamics of Flavin Adenine Dinucleotide (FAD): Spectroscopic and Molecular Dynamics Simulation Studies from Femto-second to Nano-second Regime.
J. Phys. Chem. B, 2014, 118, 1881-1890.
R. K. Koninti, A. Sengupta, K. Gavvala, N. Ballav, P. Hazra*
Loading of an Anticancer Drug onto Graphene Oxide and Subsequent Release to DNA/RNA: A Direct Optical Detection.
Nanoscale, 2014, 6, 2937-2944.
K. Gavvala, R. K. Koninti, A. Sengupta, P. Hazra*
Excited State Proton Transfer Dynamics of an Eminent Anticancer Drug, Ellipticine, in Octyl Glucoside Micelle.
Phys. Chem. Chem. Phys., 2014, 16, 14953-14960.
A.Sengupta, R. K. Koninti, K. Gavvala, N. Ballav, P. Hazra*
An Anticancer Drug to Probe Non-Specific Protein–DNA Interactions.
Phys. Chem. Chem. Phys., 2014, 16, 3914-3917.
K. Gavvala, R. K. Koninti, A. Sengupta, P. Hazra*
Cucurbit [7] uril Assisted Ultraviolet to Visible Fluorescence Switch of a Heart Medicine.
Phys. Chem. Chem. Phys., 2014, 16, 2823-2826.
K. Gavvala, A. Sengupta, R. K. Koninti, P. Hazra*
Femtosecond to Nanosecond Dynamics of 2,2`-bipyridine-3,3-diol inside the Nanocavities of Molecular Containers.
Phys. Chem. Chem. Phys., 2014, 16, 933-939.
A. Sengupta, K. Gavvala, R. K. Koninti, P. Hazra*
Role of Mg+2 Ions over Flavin Recognition by RNA Aptamer: A Spectroscopic and Thermodynamic Glimpse.
J. Photochem. Photobiol. B, 2014, 140, 240-248.
A. Sengupta*, K. Gavvala, R. K. Koninti, H. Chaudhuri, P. Hazra
Folding Dynamics of Flavin Adenine Dinucleotide (FAD) inside Non-Aqueous and Aqueous Reverse Micelles.
Chem. Phys. Lett., 2013, 584, 67-73.
K. Gavvala, A. Sengupta, R. K. Koninti, P. Hazra*
Prototropical and Photophysical Properties of an Anticancer Drug, Ellipticine inside the Nanocavities of Molecular Containers.
J. Phys. Chem. B, 2013, 117, 14099-14107.
K. Gavvala, W. D. Sasikala, A. Sengupta, S. A. Dalvi, A. Mukherjee, P. Hazra*
Modulation of Excimer Formation of 9-(dicyano-vinyl) julolidine by the Macrocyclic Hosts.
Phys. Chem. Chem. Phys., 2013, 15, 330-340.
K. Gavvala, A. Sengupta, R. K. Koninti, P. Hazra*
Supramolecular Host‐Inhibited Excited State Proton Transfer and Fluorescence Switching of the Anticancer Drug, Topotecan.
ChemPhysChem, 2013, 14, 3375-3383.
K. Gavvala, A. Sengupta, P. Hazra*
Modulation of Photophysics and pKa Shift of the Anticancer Drug, Camptothecin in the Nanocavities of Supramolecular Hosts.
ChemPhysChem, 2013, 14, 532-542.