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Aisha Tufail

Observed name: Tufail, Aisha
ORCID: 0000-0001-7349-9162
Observed ORCID: 0000-0001-7349-9162
OpenAlex ID: A5000282323
Exploring the antimalarial, antioxidant, anti-inflammatory activities of newly synthesized transition metal(II) complexes bearing thiosemicarbazone ligands: Insights from molecular docking, DFT, MESP and ADMET studies
2023 · Binesh Kumar, Jai Devi, et al. · Inorganic Chemistry Communications · 90
Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies
2023 · Binesh Kumar, Jai Devi, et al. · Scientific Reports · 90
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Synthesis, spectroscopic investigation, molecular docking, ADME/T toxicity predictions, and DFT study of two trendy ortho vanillin-based scaffolds
2023 · Dhrubajyoti Majumdar, Amit Dubey, et al. · Heliyon · 76
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Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies
2023 · Yogesh Deswal, Sonika Asija, et al. · Applied Organometallic Chemistry · 70
RETRACTED: Synthesis, spectroscopic findings, SEM/EDX, DFT, and single-crystal structure of Hg/Pb/Cu–SCN complexes: In silico ADME/T profiling and promising antibacterial activities
2023 · Dhrubajyoti Majumdar, Jessica Elizabeth Philip, et al. · Heliyon · 68
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Spectroscopic studies, antimicrobial activity, and computational investigations of hydrazone ligands endowed metal chelates
2023 · Tanisha Arora, Jai Devi, et al. · Applied Organometallic Chemistry · 66
ADME profiling, molecular docking, DFT, and MEP analysis reveal cissamaline, cissamanine, and cissamdine from Cissampelos capensis L.f. as potential anti-Alzheimer's agents
2024 · Maram B. Alhawarri, Mohammad G. Al-Thiabat, et al. · RSC Advances · 62
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Organyltellurium(IV) complexes incorporating Schiff base ligand derived from 2-hydroxy-1-naphthaldehyde: Preparation, spectroscopic investigations, antimicrobial, antioxidant activities, DFT, MESP, NBO, molecular docking and ADMET evaluation
2023 · Mahak Dalal, Amit Dubey, et al. · Journal of Molecular Structure · 61
Inspecting the anti‐tuberculosis, antimicrobial, and anti‐inflammatory efficiency of newly synthesized Co (II), Ni (II), Cu (II) and Zn (II) complexes of hydrazone ligands: Characterization and computational studies
2023 · Binesh Kumar, Jai Devi, et al. · Applied Organometallic Chemistry · 56
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Metal Complexes of 1,2,4-Triazole Based Ligand: Synthesis, Structural Elucidation, DFT Calculations, Alpha-Amylase and Alpha-Glucosidase Inhibitory Activity Along with Molecular Docking Studies
2023 · Yogesh Deswal, Sonika Asija, et al. · Journal of Inorganic and Organometallic Polymers and Materials · 55
Microwave-assisted green synthesis of fluorescent graphene quantum dots (GQDs) using Azadirachta indica leaves: enhanced synergistic action of antioxidant and antimicrobial effects and unveiling computational insights
2024 · Pooja Kadyan, Manish Kumar, et al. · Materials Advances · 47
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Biological and Computational Investigation of Transition metal(II) Complexes of 2-phenoxyaniline-based Ligands
2023 · Binesh Kumar, Jai Devi, et al. · Future Medicinal Chemistry · 47
Investigation of anti‐inflammatory and antimicrobial activities of hydrazone‐based diorganotin (IV) complexes: Synthesis, spectroscopic characterization, and computational studies
2023 · Bharti Taxak, Jai Devi, et al. · Applied Organometallic Chemistry · 45
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Exploring the antimalarial and antioxidant efficacy of transition metal(II) chelates of thiosemicarbazone ligands: spectral investigations, molecular docking, DFT, MESP and ADMET
2023 · Jai Devi, Binesh Kumar, et al. · BioMetals · 45
Synergistic Activity of Noble Trimetallic Nanofluids: Unveiling Unprecedented Antimicrobial Potential and Computational Insights
2024 · Ajit Kumar Maddheshiya, Manish Kumar, et al. · ACS Applied Bio Materials · 28
Synergistic exploration of antimicrobial potency, cytotoxicity, and molecular mechanisms: A tripartite investigation integrating in vitro, in vivo, and in silico approaches for pyrimidine‐based metal (II) complexes
2024 · Abhay Bagul, Manish Kumar, et al. · Applied Organometallic Chemistry · 26
Experimental and computational evaluation of anti-malarial and antioxidant potential of transition metal (II) complexes with tridentate schiff base derived from pyrrolopyrimidine
2024 · Abhay D. Bagul, Manish Kumar, et al. · BioMetals · 22
Phenolic compounds of Theobroma cacao L. show potential against dengue RdRp protease enzyme inhibition by In-silico docking, DFT study, MD simulation and MMGBSA calculation
2024 · A. K. M. Moyeenul Huq, Miah Roney, et al. · PLoS ONE · 20
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Pharmacophore-based virtual screening and in-silico study of natural products as potential DENV-2 RdRp inhibitors
2023 · Miah Roney, A. K. M. Moyeenul Huq, et al. · Journal of Biomolecular Structure and Dynamics · 19
Synthesis, structural investigation of Schiff base endowed organyltellurium(IV) complexes: biological activities, molecular docking, quantum chemical computations and ADMET prediction
2023 · Mahak Dalal, Amit Dubey, et al. · Research on Chemical Intermediates · 16
Unlocking antiviral potentials of traditional plants: A multi-method computational study against human metapneumovirus (HMPV)
2025 · Amit Dubey, Manish Kumar, et al. · Journal of Infection and Public Health · 15
Unveiling the bioactive potential of organotin(IV) complexes of hydrazones: Synthesis, spectral characterization, in vitro and in silico exploration
2024 · Ankit Boora, Jai Devi, et al. · Journal of Molecular Structure · 15
Unveiling the biomedical potential of thiophene‐derived Schiff base complexes: A comprehensive study of synthesis, spectral characterization, antimicrobial efficacy, antioxidant activity, and computational insights
2024 · Anisha Bhardwaj, Amit Dubey, et al. · Applied Organometallic Chemistry · 15
Polypharmacological assessment of Amoxicillin and its analogues against the bacterial DNA gyrase B using molecular docking, DFT and molecular dynamics simulation
2023 · Miah Roney, Gagandeep Singh, et al. · Aspects of Molecular Medicine · 13
Ti₃C₂F₂ MXene disrupts microbial pathogenicity via hydrophobic-driven binding: Structural dynamics and energetics against bacterial and fungal targets
2025 · Satyam Tripathi, Manish Kumar, et al. · Chemical Engineering Journal · 11
Works count: 89
Citation count: 1,240
H-index: 19
I10-index: 27
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