Insights on cyclophosphamide metabolism and anticancer mechanism of action: A computational study
E Dabbish, S Scoditti, MNI Shehata… - Journal of …, 2024 - Wiley Online Library
The oxazaphosphorine cyclophosphamide (CP) is a DNA‐alkylating agent commonly used
in cancer chemotherapy. This anticancer agent is administered as a prodrug activated by a …
in cancer chemotherapy. This anticancer agent is administered as a prodrug activated by a …
BH b⋯ π interactions in benzene–borazine sandwich and multidecker complexes: a DFT study
PK Bhattacharyya - New Journal of Chemistry, 2017 - pubs.rsc.org
The stabilization energy of benzene–borazine sandwich and multidecker complexes
bridged via B2H6 have been estimated using density functional theory. The gas and solvent …
bridged via B2H6 have been estimated using density functional theory. The gas and solvent …
Mono‐and Di‐Alkylation Processes of DNA Bases by Nitrogen Mustard Mechlorethamine
O Larrañaga, A de Cózar, FP Cossío - ChemPhysChem, 2017 - Wiley Online Library
The reactivity of nitrogen mustard mechlorethamine (mec) with purine bases towards
formation of mono‐(G‐mec and A‐mec) and dialkylated (AA‐mec, GG‐mec and AG‐mec) …
formation of mono‐(G‐mec and A‐mec) and dialkylated (AA‐mec, GG‐mec and AG‐mec) …
Unique cation–cyclohexane interactions in tri-and hexa-fluorocyclohexane multidecker complexes in the gas phase: a DFT study
D Sarma, B Saha, BC Deka, PK Bhattacharyya - RSC advances, 2016 - pubs.rsc.org
The formation of stable sandwich and multidecker complexes through electrostatic
interaction in tri-and hexa-fluorocyclohexane has been analyzed in the light of density …
interaction in tri-and hexa-fluorocyclohexane has been analyzed in the light of density …
Tuning the activity of nitrogen mustards with heterocyclic substituents at nitrogen: A DFT study
P Mazumdar, D Choudhury - Computational and Theoretical Chemistry, 2021 - Elsevier
The thermodynamic and kinetic effects of substituting nitrogen mustards with heterocyclic
ring systems on the formation of aziridinium ion have been studied using DFT calculations …
ring systems on the formation of aziridinium ion have been studied using DFT calculations …
Nitrogen Mustards: The Novel DNA Alkylator
B Chandra Deka, P Kr Bhattacharyya - Clinical Cancer Drugs, 2017 - ingentaconnect.com
Objective: Emergence of nitrogen mustards and their derivatives as DNA alkylating agent
and their expanding anti-cancer applicability did fuel up massive efforts directed towards the …
and their expanding anti-cancer applicability did fuel up massive efforts directed towards the …
A DFT study on reactivity, aromaticity and absorption spectra of perylo [1, 12-b, c, d] thiophene tetraester doped with B, N, O, Se and BN
PK Bhattacharyya - Computational and Theoretical Chemistry, 2016 - Elsevier
Reactivity, aromaticity and absorption spectra of Perylo [1, 12-b, c, d] thiophene tetraester
doped with B, N, O Se and BN have been discussed in the light of Density Functional Theory …
doped with B, N, O Se and BN have been discussed in the light of Density Functional Theory …
On the effect of external perturbation on amino acid salt bridge: A DFT study
BJ Dutta, N Sarmah, PKR Bhattacharyya - Journal of Chemical Sciences, 2017 - Springer
Abstract Effect of external perturbation (in terms of external electric field and solvents) on the
stability of lysine-aspartic acid salt bridge was analyzed by density functional theory …
stability of lysine-aspartic acid salt bridge was analyzed by density functional theory …
Density functional studies of Bis-alkylating nitrogen mustards
PK Bhattacharyya, S Sinha, N Sarmah… - Frontiers in computational …, 2015 - Elsevier
Nitrogen mustards are the most extensively used chemotherapeutic agent since their
evolution in the mid-1940s. The high degree of cytotoxicity of these drugs is attributed to …
evolution in the mid-1940s. The high degree of cytotoxicity of these drugs is attributed to …