3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors M Arooj, S Thangapandian, S John, S Hwang, JK Park, KW Lee International journal of molecular sciences 12 (12), 9236-9264, 2011 | 72 | 2011 |
Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors S John, S Thangapandian, M Arooj, JC Hong, KD Kim, KW Lee BMC bioinformatics 12, 1-14, 2011 | 66 | 2011 |
A combination of receptor-based pharmacophore modeling & QM techniques for identification of human chymase inhibitors M Arooj, S Sakkiah, S Kim, V Arulalapperumal, KW Lee PLoS One 8 (4), e63030, 2013 | 61 | 2013 |
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, GP Cao, KW Lee PLoS One 8 (4), e60470, 2013 | 53 | 2013 |
Identification of inhibitor binding site in human sirtuin 2 using molecular docking and dynamics simulations S Sakkiah, M Arooj, MR Kumar, SH Eom, KW Lee PLoS One 8 (1), e51429, 2013 | 45 | 2013 |
Binding mode analyses and pharmacophore model development for stilbene derivatives as a novel and competitive class of α-glucosidase inhibitors Y Lee, S Kim, JY Kim, M Arooj, S Kim, S Hwang, BW Kim, KH Park, ... PloS one 9 (1), e85827, 2014 | 31 | 2014 |
Current methods for the prediction of T‐cell epitopes P Kar, L Ruiz‐Perez, M Arooj, RL Mancera Peptide Science 110 (2), e24046, 2018 | 24 | 2018 |
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 … Z Iqbal, G Morahan, M Arooj, AN Sobolev, S Hameed European Journal of Medicinal Chemistry 168, 154-175, 2019 | 22 | 2019 |
Green and cytocompatible carboxyl modified gold–lysozyme nanoantibacterial for combating multidrug-resistant superbugs IM Ahmady, MK Hameed, AM Almehdi, M Arooj, B Workie, ... Biomaterials science 7 (12), 5016-5026, 2019 | 21 | 2019 |
A lazy learning-based QSAR classification study for screening potential histone deacetylase 8 (HDAC8) inhibitors GP Cao, M Arooj, S Thangapandian, C Park, V Arulalapperumal, Y Kim, ... SAR and QSAR in Environmental Research 26 (5), 397-420, 2015 | 21 | 2015 |
Characterization of protein-facilitated ion-transfer mechanism at a polarized aqueous/organic interface M Arooj, DWM Arrigan, RL Mancera The Journal of Physical Chemistry B 123 (34), 7436-7444, 2019 | 20 | 2019 |
Adsorption and Unfolding of Lysozyme at a Polarized Aqueous–Organic Liquid Interface M Arooj, NS Gandhi, CA Kreck, DWM Arrigan, RL Mancera The Journal of Physical Chemistry B 120 (12), 3100-3112, 2016 | 18 | 2016 |
Molecular dynamics simulation study and hybrid pharmacophore model development in human LTA4H inhibitor design S Thangapandian, S John, M Arooj, KW Lee PLoS one 7 (4), e34593, 2012 | 17 | 2012 |
Molecular modeling study for inhibition mechanism of human chymase and its application in inhibitor design M Arooj, S Kim, S Sakkiah, GP Cao, Y Lee, KW Lee PLoS One 8 (4), e62740, 2013 | 16 | 2013 |
Physicochemical stability study of protein–benzoic acid complexes using molecular dynamics simulations M Arooj, I Shehadi, CN Nassab, AA Mohamed Amino acids 52 (9), 1353-1362, 2020 | 15 | 2020 |
Insight the C-site pocket conformational changes responsible for sirtuin 2 activity using molecular dynamics simulations S Sakkiah, M Arooj, GP Cao, KW Lee PloS one 8 (3), e59278, 2013 | 14 | 2013 |
Finding off‐targets, biological pathways, and target diseases for chymase inhibitors via structure‐based systems biology approach M Arooj, S Sakkiah, GP Cao, S Kim, V Arulalapperumal, KW Lee Proteins: Structure, Function, and Bioinformatics 83 (7), 1209-1224, 2015 | 13 | 2015 |
Lysozyme and human serum albumin proteins as potential nitric oxide cardiovascular drug carriers: theoretical and experimental investigation CN Nassab, M Arooj, IA Shehadi, JBM Parambath, SM Kanan, ... The Journal of Physical Chemistry B 125 (28), 7750-7762, 2021 | 12 | 2021 |
Experimental and theoretical review on covalent coupling and elemental doping of carbon nanomaterials for environmental photocatalysis M Arooj, JBM Parambath, N Ali, A Khan, S Malik, M Bilal, AA Mohamed Critical Reviews in Solid State and Materials Sciences 48, 215-256, 2023 | 11 | 2023 |
Inhibition of amyloid fibrillation, enzymatic degradation and cytotoxicity of insulin at carboxyl tailored gold-aryl nanoparticles surface ND AlBab, MK Hameed, A Maresova, IM Ahmady, M Arooj, C Han, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 586, 124279, 2020 | 11 | 2020 |