Author

Anushree Maurya

Observed name: Maurya, Anushree

Institution: University of Lucknow

Observed institution: University of Lucknow

ORCID: 0009-0000-6751-8902

Observed ORCID: 0009-0000-6751-8902

OpenAlex ID: A5075655232

Insights into Novel Isoniazide Encompassing triazolo[4,3-b][1,2,4]triazoles as Anti-TB, antioxidant and antidiabetic agents: A spectral analysis, DFT calculations, ADME, In vitro, and in silico molecular modeling studies

2025 · Parveen Rajesab, Basavarajaiah Suliphuldevara Mathada, et al. · Journal of Molecular Structure · 22

Synthesis, Structural, DFT studies, Biological Effectiveness, and Molecular Docking Aspects of Multitarget Novel N-(4-Phenylthiazol-2-yl)hydrazine carboxamide Hybrids as COX inhibitors, Anti-TB, and Anti-oxidant activity

2024 · Basavaraj Hiremath, Anushree Maurya, et al. · Journal of Molecular Structure · 20

Drug delivery potential of γ-graphyne, 6,6,12-graphyne and γ-graphdiyne for 5-Fluorouracil: insights from DFT calculations

2025 · Anushree Maurya, Abhay Nandan Mishra, et al. · Composite Interfaces · 19

Unveiling a novel thiazolo[2,3-c][1,2,4]triazole scaffolds as a dual cyclooxygenase and cholinesterase inhibitors: Spectral analysis, DFT calculations, in vitro and in silico studies

2025 · Parveen Rajesab, Basavarajaiah Suliphuldevara Mathada, et al. · Journal of Molecular Structure · 16

A Novel Pyridopyrimidine Derivative as a Potential Breast Cancer Agent: DFT, Docking, MD Simulation, and Cytotoxic Studies

2025 · Anushree Maurya, Lamya H. Al‐Wahaibi, et al. · Chemistry & Biodiversity · 5

In silico insights into dual COX inhibition by fluoro‐substituted indole derivative using DFT , molecular docking, and MD simulation studies

2025 · Mamta Pal, Raj Shukla, et al. · Journal of the Chinese Chemical Society · 4

Structural Characterization, Spectroscopic Profile, Molecular Docking, ADMET Properties, Molecular Dynamics Simulation Studies, and Molecular Mechanics Generalized Born Surface Area Analysis of 5-(Adamantan-1-yl)-4-butyl-2,4-dihydro-3H-1,2,4-triazole-3-thione as a Potential COX Inhibitor

2024 · Lamya H. Al-Wahaibi, Ali A. El-Emam, et al. · ACS Omega · 4

Hydrazone-linked isatin-pyridine hybrids for EGFR inhibition: Insights from density functional and molecular docking analyses

2025 · Shilendra K. Pathak, Zohra Siddiqui, et al. · Journal of Molecular Structure · 2

Synthesis, Spectroscopic Analysis, Molecular Docking, Molecular Dynamics Simulation of 5-(Adamantan-1-yl)-4-(3-Chlorophenyl)-2,4-Dihydro-3 H -1,2,4-Triazole-3-Thione, a Potential Anti-proliferative Agent

2023 · Alaa S. Abdelrazeq, Hazem A. Ghabbour, et al. · Polycyclic aromatic compounds · 2

Computational Screening of Indole Metabolites Targeting EGFR Wild‐Type and Mutant Proteins Using Molecular Docking and Molecular Dynamics Simulations

2026 · Raj Shukla, Mamta Pal, et al. · ChemistrySelect · 1

A comprehensive analysis of the spectroscopic and drug-like properties of dimethyl 5-hydroxybenzene-1,3-dicarboxylate: insights from DFT and MD simulations

2024 · Mamta Pal, Anushree Maurya, et al. · Molecular Simulation · 1

Computational Screening of Anticancer Phytochemicals From IMPPAT2.0 Database: Molecular Docking and Molecular Dynamics Evaluation Against EGFR and FGFR3

2026 · Zohra Siddiqui, Anushree Maurya, et al. · ChemistrySelect

Synthesis, Spectral Analysis, Physicochemical, and Biological Potential of Unexplored Novel Indole Tethered Thiazolo[2,3‐c][1,2,4]Triazoles by DFT and Molecular Docking Insights

2026 · Parveen Rajesab, Basavarajaiah Suliphuldevara Mathada, et al. · ChemistrySelect

Works count: 17

Citation count: 96

H-index: 5

I10-index: 4