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M. Arooj · SciRah

Researcher profile · Semantic Scholar

M. Arooj

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M. Arooj — researcher profile on SciRah

h-index: 21
Works: 56
Citations: 978

Most-cited papers

Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations
S. Sakkiah, M. Arooj, M. Kumar, S. Eom +1 more
2013PLoS ONE87 citations Open access
Semantic Scholar
3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors
M. Arooj, S. Thangapandian, Shalini John, Swan Hwang +2 more
2011International Journal of Molecular Sciences68 citations Open access
Semantic Scholar
Recent Advances on Metal Oxide Based Sensors for Environmental Gas Pollutants Detection
S. Kanan, Khaled Obeideen, Matthew A. Moyet, Heba Abed +5 more
2024Critical reviews in analytical chemistry64 citations
Semantic Scholar
A Combination of Receptor-Based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors
M. Arooj, S. Sakkiah, Songmi Kim, Venkatesh Arulalapperumal +1 more
2013PLoS ONE59 citations Open access
Semantic Scholar
Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors
Shalini John, S. Thangapandian, M. Arooj, Jong-Chan Hong +2 more
2011BMC Bioinformatics59 citations Open access
Semantic Scholar
An Innovative Strategy for Dual Inhibitor Design and Its Application in Dual Inhibition of Human Thymidylate Synthase and Dihydrofolate Reductase Enzymes
M. Arooj, S. Sakkiah, G. Cao, K. Lee
2013PLoS ONE50 citations Open access
Semantic Scholar
Insight the C-Site Pocket Conformational Changes Responsible for Sirtuin 2 Activity Using Molecular Dynamics Simulations
S. Sakkiah, M. Arooj, G. Cao, K. Lee
2013PLoS ONE40 citations Open access
Semantic Scholar
Binding Mode Analyses and Pharmacophore Model Development for Stilbene Derivatives as a Novel and Competitive Class of α-Glucosidase Inhibitors
Yuno Lee, Songmi Kim, J. Y. Kim, M. Arooj +5 more
2014PLoS ONE39 citations Open access
Semantic Scholar
Experimental and theoretical review on covalent coupling and elemental doping of carbon nanomaterials for environmental photocatalysis
M. Arooj, Javad B. M. Parambath, Nisar Ali, Adnan Khan +3 more
2022Critical reviews in solid state and materials sciences34 citations
Semantic Scholar
SOx Functionalized NiOOH Nanosheets Embedded in Ni(OH)2 Microarray for High-Efficiency Seawater Oxidation.
Tanveer Ul Haq, M. Arooj, Aleena Tahir, Yousef Haik
2023Small32 citations Open access
Semantic Scholar
Physicochemical stability study of protein–benzoic acid complexes using molecular dynamics simulations
M. Arooj, Ihsan A. Shehadi, C. Nassab, A. Mohamed
2020Amino Acids26 citations
Semantic Scholar
Synthesis of new arylsulfonylspiroimidazolidine-2',4'-diones and study of their effect on stimulation of insulin release from MIN6 cell line, inhibition of human aldose reductase, sorbitol accumulations in various tissues and oxidative stress.
Z. Iqbal, G. Morahan, M. Arooj, A. Sobolev +1 more
2019European journal of medicinal chemistry25 citations Open access
Semantic Scholar
Green and cytocompatible carboxyl modified gold-lysozyme nanoantibacterial for combating multidrug-resistant superbugs.
Islam M. Ahmady, Mehavesh Hameed, A. Almehdi, M. Arooj +4 more
2019Biomaterials Science25 citations Open access
Semantic Scholar
Molecular Polar Surface Area, Total Solvent Accessible Surface Area (SASA), Heat of Formation, and Gamma-Ray Attenuation Properties of Some Flavonoids
H. Tekin, G. Almisned, S. Issa, Emel Kaşikçi +5 more
2022Frontiers of Physics24 citations Open access
Semantic Scholar
Computational insights into binding mechanism of drugs as potential inhibitors against SARS-CoV-2 targets
M. Arooj, Ihsan A. Shehadi, C. Nassab, A. Mohamed
2021Chemické zvesti24 citations Open access
Semantic Scholar
Molecular Dynamics Simulation Study and Hybrid Pharmacophore Model Development in Human LTA4H Inhibitor Design
S. Thangapandian, Shalini John, M. Arooj, K. Lee
2012PLoS ONE24 citations Open access
Semantic Scholar
Lysozyme and Human Serum Albumin Proteins as Potential Nitric Oxide Cardiovascular Drug Carriers: Theoretical and Experimental Investigation.
C. Nassab, M. Arooj, Ihsan A. Shehadi, Javad B. M. Parambath +2 more
2021Journal of Physical Chemistry B23 citations
Semantic Scholar
Identification and characterisation of putative drug binding sites in human ATP-binding cassette B5 (ABCB5) transporter
L. P. Tangella, M. Arooj, E. Deplazes, E. Gray +1 more
2020Computational and Structural Biotechnology Journal22 citations Open access
Semantic Scholar
A lazy learning-based QSAR classification study for screening potential histone deacetylase 8 (HDAC8) inhibitors
G. Cao, M. Arooj, S. Thangapandian, Chanin Park +6 more
2015SAR and QSAR in environmental research (Print)22 citations
Semantic Scholar
Inhibition of amyloid fibrillation, enzymatic degradation and cytotoxicity of insulin at carboxyl tailored gold-aryl nanoparticles surface
Nemat D. AlBab, Mehavesh Hameed, Aneta Marešová, Islam M. Ahmady +5 more
202021 citations Open access
Semantic Scholar
Adsorption and Unfolding of Lysozyme at a Polarized Aqueous-Organic Liquid Interface.
M. Arooj, Neha S. Gandhi, Cara A. Kreck, D. Arrigan +1 more
2016Journal of Physical Chemistry B21 citations
Semantic Scholar
Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design
M. Arooj, Songmi Kim, S. Sakkiah, G. Cao +2 more
2013PLoS ONE21 citations Open access
Semantic Scholar
Finding off‐targets, biological pathways, and target diseases for chymase inhibitors via structure‐based systems biology approach
M. Arooj, S. Sakkiah, G. Cao, Songmi Kim +2 more
2015Proteins: Structure, Function, and Bioinformatics20 citations
Semantic Scholar
Current methods for the prediction of T‐cell epitopes
P. Kar, Lanie Ruiz‐Perez, M. Arooj, R. L. Mancera
201819 citations
Semantic Scholar
Characterisation of the protein-facilitated ion-transfer mechanism at a polarised aqueous-organic interface.
M. Arooj, D. Arrigan, R. L. Mancera
2019Journal of Physical Chemistry B18 citations
Semantic Scholar
Stepwise Surface-Functionalized Magnetic Fe3O4@SA@PANI@ZnO Nanocomposite: An Enhanced Photocatalyst for the Degradation of Methyl Orange Dye
Kamrul Hasan, Arooba Malik, S. M. Sayeed Iqbal, S. Sarkar +2 more
2025Chemical Engineering Journal Advances16 citations Open access
Semantic Scholar
Secondary Structural Changes in Proteins as a Result of Electroadsorption at Aqueous-Organogel Interfaces.
S. Booth, B. M. Felisilda, Eva Alvarez de Eulate, O. J. R. Gustafsson +5 more
2018Langmuir14 citations Open access
Semantic Scholar
Doping matters in carbon nanomaterial efficiency in environmental remediation
Javad B. M. Parambath, Fatima Abla, M. Arooj, Ahmed Abouzeed Mohamed
2023Environmental science and pollution research international11 citations
Semantic Scholar
Identification and mechanistic understanding of active sites in bimetallic catalysts for electrochemical water splitting
Muraledharan Shyama, M. Arooj, Tanveer Ul Haq
2026Sustainable Energy & Fuels10 citations
Semantic Scholar
Erdheim–Chester disease associated with a novel, complex BRAF p.Thr599_Val600delinsArgGlu mutation
J. Bentel, M. Thomas, J. Rodgers, M. Arooj +6 more
2017BMJ Case Reports8 citations Open access
Semantic Scholar
Computational Studies of Novel Chymase Inhibitors Against Cardiovascular and Allergic Diseases: Mechanism and Inhibition
M. Arooj, S. Thangapandian, Shalini John, Swan Hwang +2 more
2012Chemical Biology and Drug Design8 citations
Semantic Scholar
Sensing of volatile pollutants on reduced graphene oxide-polypyrrole composite: DFT investigation
Sarina Hashim, M. Arooj, Ahmed A. Mohamed
2024Environmental science and pollution research international7 citations
Semantic Scholar
Immobilization of Gold–Aryl Nanoparticles Over Graphene Oxide Platforms: Experimental and Molecular Dynamics Calculations Study
Javad B. M. Parambath, M. Arooj, M. Omastová, M. Chehimi +3 more
2022Journal of cluster science7 citations
Semantic Scholar
Theoretical approaches to identify the potent scaffold for human sirtuin1 activator: Bayesian modeling and density functional theory
S. Sakkiah, M. Arooj, K. Lee, J. Z. Torres
2014Medicinal Chemistry Research7 citations
Semantic Scholar
S···S interaction in Pd(II) complexes of bis(phosphino)oligothiophene with various substituents
M. Arooj, Kyeongyeon Kim, Dong-Hwan Kim, Byungsook Kim +4 more
20095 citations Open access
Semantic Scholar
Integrating carbon dots to advance measuring aquatic metal ion pollutants: sensing and computational modeling
M. Arooj, G. Venkatesh, Javad B. M. Parambath, Kareem Mazen +5 more
2026Carbon Resources Conversion4 citations Open access
Semantic Scholar
Computational site‐directed mutagenesis studies of the role of the hydrophobic triad on substrate binding in cholesterol oxidase
Laith Harb, M. Arooj, A. Vrielink, R. L. Mancera
2017Proteins: Structure, Function, and Bioinformatics4 citations
Semantic Scholar
Geometrical Structures of the First Solvation Shell of the [PdCl 4 ] 2 Core: Charge-Dipole vs Dipole-Dipole Interaction of ((Pd II }...Solvent)
M. Arooj, J. K. Park
20083 citations Open access
Semantic Scholar
Facile protic hydration of acetonitrile to protonated acetamide at oxygen mediated by chloroauric acid: insights from experimental and calculations
Ihsan A. Shehadi, Fatima Abla, Bryan Wakefield, J. Reibenspies +2 more
2019Research on chemical intermediates (Print)2 citations
Semantic Scholar
Effects for Charge Transfer in Pd(II) Complexes along Various Terminal Ligands
M. Arooj, Kyung-ok Park, J. K. Park
20102 citations Open access
Semantic Scholar
Natural compounds as PPAR-γ modulators in inflammatory bowel disease: Insights from molecular docking and dynamics simulations
B. Bhongade, A. A. Ali, N. Amnerkar, S. Khadse +8 more
2026Letters in Drug Design & Discovery1 citations Open access
Semantic Scholar
Rational Design and Applications of Ultrasmall Gold Nanoparticles
Javad B. M. Parambath, M. Arooj, K. V. Anand, S. Kanan +1 more
2025Topics in current chemistry1 citations
Semantic Scholar
Experimental and calculation study of co-delivery of insulin and nitric oxide carriers for diabetes and cardiovascular diseases
M. Arooj, Sarina Hashim, Javad B. M. Parambath, Ahmed A. Mohamed
2025Journal of Drug Delivery Science and Technology1 citations
Semantic Scholar
Thermodynamic and Kinetic Investigations for Biosorption of Chromium(VI) With Green Algae ( Pithophora oedogonia )
S. Suleman, S. Noman, Yacine Atif, N. Faizan +1 more
20171 citations Open access
Semantic Scholar
Binding mode analysis of dual inhibitors of human thymidylate synthase and dihydrofolate reductase as antitumour agents via molecular docking and DFT studies
M. Arooj, K. Lee
20151 citations
Semantic Scholar
Orbital Interaction and Electron Density Transfer in PdII([9]aneB2A)L2 Complexes: Theoretical Approaches
O. Kwak, M. Arooj, Yong-Jin Yoon, E. Jeong +1 more
2013Molecules1 citations Open access
Semantic Scholar
Let it glow - Fluorescent sensing of PFOS in water using Spirulina-based phycocyanin-carbon quantum dots: Experimental validation and DFT studies.
G. Venkatesh, Kareem Mazen, Fatin Samara, M. Arooj +2 more
2026Journal of Hazardous Materials0 citations
Semantic Scholar
Interfacial Electron Transfer in Self-Assembled Arylated Gold Nanoparticles-Ferrocenium Organometallics.
Javad B. M. Parambath, Kabali Vijai Anand, M. Arooj, Muraledharan Shyama +2 more
2026Inorganic Chemistry0 citations
Semantic Scholar
Designing metal-free electrocatalysts for fuel cells: DFT insights
M. Arooj
2026Materials Research Proceedings0 citations Open access
Semantic Scholar
Doped nanocones as metal-free electrocatalysts for efficient oxygen reduction reaction: a DFT study
Muraledharan Shyama, Ayesha Adel Alrustamani, M. Arooj
2026Chemické zvesti0 citations
Semantic Scholar

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