Kshatresh Dutta Dubey (Kshatresh D Dubey)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 44

Top Venues

Journal of the American Chemical Society

Chemical science

Biochemistry

Communications biology

Shiv Nadar University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Shiv Nadar University Mar 01 2019

India

Group Leader :: Chemistry

Hebrew University of Jerusalem Jan 01 2014 - Sep 30 2017

Israel

Post doctoral Researcher :: Institute of Chemistry

Publications

Shalini Yadav, Sason S Shaik, Kshatresh Dutta Dubey
On the engineering of reductase-based-monooxygenase activity in CYP450 peroxygenases. Chemical science 15 (14) (2024)
Shalini Yadav, Sason S Shaik, Kshatresh Dutta Dubey
On the engineering of reductase-based-monooxygenase activity in CYP450 peroxygenases. Chemical science 15 (14) (2024)
Mohd Taher, Kshatresh Dutta Dubey, Shyamalava Mazumdar
Computationally guided bioengineering of the active site, substrate access pathway, and water channels of thermostable cytochrome P450, CYP175A1, for catalyzing the alkane hydroxylation reaction. Chemical science 14 (48) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Warispreet Singh, Sonia F G Santos, Shalini Yadav, Gary W Black, Kshatresh Dutta Dubey
Substrate Conformation Regulates Aromatic C-H Vs C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. Biochemistry (2023)
Vikas Maurya, Raja Singh, Reman Kumar Singh, Stuti Pandey, Pooja Yadav, Palak Parashar, Rajni Gaind, Kshatresh Dutta Dubey, G Naresh Patwari, Vibha Tandon
Unraveling topoisomerase IA gate dynamics in presence of PPEF and its preclinical evaluation against multidrug-resistant pathogens. Communications biology 6 (1) (2023)
Warispreet Singh, Sonia F G Santos, Shalini Yadav, Gary W Black, Kshatresh Dutta Dubey
Substrate Conformation Regulates Aromatic C-H Vs C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. Biochemistry 62 (10) (2023)
Shalini Yadav, Sason S Shaik, Kshatresh Dutta Dubey
Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450 OleT . The journal of physical chemistry. B (2023)
Vikas Maurya, Raja Singh, Reman Kumar Singh, Stuti Pandey, Pooja Yadav, Palak Parashar, Rajni Gaind, Kshatresh Dutta Dubey, G Naresh Patwari, Vibha Tandon
Unraveling topoisomerase IA gate dynamics in presence of PPEF and its preclinical evaluation against multidrug-resistant pathogens. Communications biology 6 (1) (2023)
Warispreet Singh, Sonia F G Santos, Shalini Yadav, Gary W Black, Kshatresh Dutta Dubey
Substrate Conformation Regulates Aromatic C-H Vs C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. Biochemistry (2023)
Vikas Maurya, Raja Singh, Reman Kumar Singh, Stuti Pandey, Pooja Yadav, Palak Parashar, Rajni Gaind, Kshatresh Dutta Dubey, G Naresh Patwari, Vibha Tandon
Unraveling topoisomerase IA gate dynamics in presence of PPEF and its preclinical evaluation against multidrug-resistant pathogens. Communications biology 6 (1) (2023)
Ankita Tripathi, Kshatresh Dutta Dubey
A single site mutation can induce functional promiscuity in homoserine kinase. Organic & biomolecular chemistry (2023)
Vikas Maurya, Raja Singh, Reman Kumar Singh, Stuti Pandey, Pooja Yadav, Palak Parashar, Rajni Gaind, Kshatresh Dutta Dubey, G Naresh Patwari, Vibha Tandon
Unraveling topoisomerase IA gate dynamics in presence of PPEF and its preclinical evaluation against multidrug-resistant pathogens. Communications biology 6 (1) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Warispreet Singh, Sonia F G Santos, Shalini Yadav, Gary W Black, Kshatresh Dutta Dubey
Substrate Conformation Regulates Aromatic C-H Vs C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. Biochemistry 62 (10) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Warispreet Singh, Sonia F G Santos, Shalini Yadav, Gary W Black, Kshatresh Dutta Dubey
Substrate Conformation Regulates Aromatic C-H Vs C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase. Biochemistry (2023)
Shakir Ali Siddiqui, Thijs Stuyver, Sason Shaik, Kshatresh Dutta Dubey
Designed Local Electric Fields-Promising Tools for Enzyme Engineering. JACS Au 3 (12) (2023)
Shakir Ali Siddiqui, Sason S Shaik, Surajit Kalita, Kshatresh Dutta Dubey
A porphyrin-based molecular cage guided by designed local-electric field is highly selective and efficient. Chemical science 14 (37) (2023)
Vandana Kardam, Kshatresh Dutta Dubey
Tyr 118-Mediated Electron Transfer is Key to the Chlorite Decomposition in Heme-Dependent Chlorite Dismutase. Inorganic chemistry (2023)
Mohd Taher, Kshatresh Dutta Dubey, Shyamalava Mazumdar
Computationally guided bioengineering of the active site, substrate access pathway, and water channels of thermostable cytochrome P450, CYP175A1, for catalyzing the alkane hydroxylation reaction. Chemical science 14 (48) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Shakir Ali Siddiqui, Thijs Stuyver, Sason Shaik, Kshatresh Dutta Dubey
Designed Local Electric Fields-Promising Tools for Enzyme Engineering. JACS Au 3 (12) (2023)
Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, Sason S Shaik
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society 145 (6) (2023)
Shakir Ali Siddiqui, Thijs Stuyver, Sason Shaik, Kshatresh Dutta Dubey
Designed Local Electric Fields-Promising Tools for Enzyme Engineering. JACS Au 3 (12) (2023)
Rakesh Kumar Rai, Ramesh Karri, Kshatresh Dutta Dubey, Gouriprasanna Roy
Regulation of Tyrosinase Enzyme Activity by Glutathione Peroxidase Mimics. Journal of agricultural and food chemistry 70 (31) (2022)
Kshatresh Dutta Dubey, Thijs Stuyver, Sason S Shaik
Local Electric Fields: From Enzyme Catalysis to Synthetic Catalyst Design. The journal of physical chemistry. B (2022)
Ankita Tripathi, Kshatresh Dutta Dubey
Combined MD and QM/MM Calculations Reveal Allostery-Driven Promiscuity in Dipeptide Epimerases of Enolase Family. Chemistry, an Asian journal 17 (16) (2022)
Shalini Yadav, Vandana Kardam, Ankita Tripathi, Shruti T G, Kshatresh Dutta Dubey
The Performance of Different Water Models on the Structure and Function of Cytochrome P450 Enzymes. Journal of chemical information and modeling (2022)
Shalini Yadav, Sason S Shaik, Shakir Ali Siddiqui, Surajit Kalita, Kshatresh Dutta Dubey
Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβ. Journal of chemical information and modeling 62 (4) (2022)
Warispreet Singh, Sónia F G Santos, Paul James, Gary W Black, Meilan Huang, Kshatresh Dutta Dubey
Single-Site Mutation Induces Water-Mediated Promiscuity in Lignin Breaking Cytochrome P450 GcoA . ACS omega 7 (24) (2022)
Shakir Ali Siddiqui, Kshatresh Dutta Dubey
Can the local electric field be a descriptor of catalytic activity? A case study on chorismate mutase. Physical chemistry chemical physics : PCCP (2021)
Souvik Banerjee, Shalini Yadav, Sourav Banerjee, Sayo O Fakayode, Jyothi Parvathareddy, Walter Reichard, Surekha Surendranathan, Foyez Mahmud, Ryan Whatcott, Joshua Thammathong, Bernd Meibohm, Duane D Miller, Colleen Beth Jonsson, Kshatresh Dutta Dubey
Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and In Vitro Study. Journal of chemical information and modeling 61 (11) (2021)
Surajit Kalita, Sason S Shaik, Kshatresh Dutta Dubey
MD simulations and QM/MM calculations reveal the key mechanistic elements which are responsible for the efficient C-H amination reaction performed by a bioengineered P450 enzyme. Chemical science 12 (43) (2021)
Kshatresh Dutta Dubey, Warispreet Singh
Simulations reveal the key role of Arg15 in the promiscuous activity in the HisA enzyme. Organic & biomolecular chemistry (2021)
Panchanan Maiti, Jayeeta Manna, Joshua Thammathong, Bobbi Evans, Kshatresh Dutta Dubey, Souvik Banerjee, Gary L Dunbar
Tetrahydrocurcumin Has Similar Anti-Amyloid Properties as Curcumin: In Vitro Comparative Structure-Activity Studies. Antioxidants (Basel, Switzerland) 10 (10) (2021)
Kshatresh Dutta Dubey, Thijs Stuyver, Surajit Kalita, Sason S Shaik
Solvent Organization and Rate Regulation of a Menshutkin Reaction by Oriented External Electric Fields are Revealed by Combined MD and QM/MM Calculations. Journal of the American Chemical Society 142 (22) (2020)
Kshatresh Dutta Dubey, Sason S Shaik
Cytochrome P450-The Wonderful Nanomachine Revealed through Dynamic Simulations of the Catalytic Cycle. Accounts of chemical research 52 (2) (2019)
Kshatresh Dutta Dubey, Sason S Shaik
Choreography of the Reductase and P450BM3 Domains Toward Electron Transfer Is Instigated by the Substrate. Journal of the American Chemical Society 140 (2) (2018)
Kshatresh Dutta Dubey, Gargi Tiwari, Rajendra Prasad Ojha
Targeting domain-III hinging of dengue envelope (DENV-2) protein by MD simulations, docking and free energy calculations. Journal of molecular modeling 23 (4) (2017)
Aitao Li, Binju Wang, Adriana Ilie, Kshatresh Dutta Dubey, Gert Bange, Ivan V Korendovych, Sason Shaik, Manfred T Reetz
A redox-mediated Kemp eliminase. Nature communications 8 (2017)
Kshatresh Dutta Dubey, Binju Wang, Manu Vajpai, Sason S Shaik
MD simulations and QM/MM calculations show that single-site mutations of cytochrome P450BM3 alter the active site's complexity and the chemoselectivity of oxidation without changing the active species. Chemical science 8 (8) (2017)

Kshatresh Dutta Dubey.css-eqlu8i{font-size:small;padding-left:4px;} (Kshatresh D Dubey)

Publication Activity (10 Years)

Top Topics

Top Venues

Kshatresh Dutta Dubey (Kshatresh D Dubey)