Molecular insights into the interaction of RONS and Thieno [3, 2-c] pyran analogs with SIRT6/COX-2: A molecular dynamics study DK Yadav, S Kumar, Saloni, S Misra, L Yadav, M Teli, P Sharma, ... Scientific reports 8 (1), 4777, 2018 | 400 | 2018 |
Molecular dynamic simulations of oxidized skin lipid bilayer and permeability of reactive oxygen species DK Yadav, S Kumar, EH Choi, S Chaudhary, MH Kim Scientific reports 9 (1), 4496, 2019 | 89 | 2019 |
Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay C Jang, DK Yadav, L Subedi, R Venkatesan, A Venkanna, S Afzal, E Lee, ... Scientific Reports 8, 14921, 2018 | 86 | 2018 |
Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer DK Yadav, S Kumar, Saloni, H Singh, M Kim, P Sharma, S Misra, F Khan Drug Design, Development and Therapy, 1859-1870, 2017 | 79 | 2017 |
Highly enantioselective synthesis of α, α-dialkylmalonates by phase-transfer catalytic desymmetrization S Hong, J Lee, M Kim, Y Park, C Park, M Kim, S Jew, H Park Journal of the American Chemical Society 133 (13), 4924-4929, 2011 | 70 | 2011 |
New arylated benzo[h]quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage DK Yadav, R Rai, N Kumar, S Singh, S Misra, P Sharma, P Shaw, ... Scientific reports 6 (1), 38128, 2016 | 65 | 2016 |
Synthesis of (−)-paroxetine via enantioselective phase-transfer catalytic monoalkylation of malonamide ester M Kim, Y Park, BS Jeong, H Park, S Jew Organic letters 12 (12), 2826-2829, 2010 | 63 | 2010 |
Cold atmospheric plasma generated reactive species aided inhibitory effects on human melanoma cells: an in vitro and in silico study DK Yadav, M Adhikari, S Kumar, B Ghimire, I Han, MH Kim, EH Choi Scientific reports 10 (1), 3396, 2020 | 62 | 2020 |
SMPLIP-Score: predicting ligand binding affinity from simple and interpretable on-the-fly interaction fingerprint pattern descriptors MK Surendra Kumar Journal of Cheminformatics 13, 28, 2021 | 39* | 2021 |
Novel SIRT1 inhibitor 15-deoxy-Δ12, 14-prostaglandin J2 and its derivatives exhibit anticancer activity through apoptotic or autophagic cell death pathways in SKOV3 cells. IH Tae, EY Park, P Dey, JY Son, SY Lee, JH Jung, Saloni, MH Kim, ... International journal of oncology, 2018 | 36 | 2018 |
Syntheses and biological evaluation of 1-heteroaryl-2-aryl-1H-benzimidazole derivatives as c-Jun N-terminal kinase inhibitors with neuroprotective effects M Kim, J Lee, K Jung, M Kim, YJ Park, H Ahn, YH Kwon, JM Hah Bioorganic & medicinal chemistry 21 (8), 2271-2285, 2013 | 36 | 2013 |
PIFA-Promoted, Solvent-Controlled Selective Functionalization of C(sp2)–H or C(sp3)–H: Nitration via C–N Bond Cleavage of CH3NO2, Cyanation, or … C Mudithanapelli, LP Dhorma, M Kim Organic letters 21 (9), 3098-3102, 2019 | 35 | 2019 |
Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking DK Yadav, Saloni, P Sharma, S Misra, H Singh, RL Mancera, K Kim, ... Archives of pharmacal research 41, 1178-1189, 2018 | 35 | 2018 |
Insight into the molecular dynamic simulation studies of reactive oxygen species in native skin membrane DK Yadav, S Kumar, EH Choi, P Sharma, S Misra, MH Kim Frontiers in pharmacology 9, 644, 2018 | 34 | 2018 |
A stilbenoid isorhapontigenin as a potential anti-cancer agent against breast cancer through inhibiting sphingosine kinases/tubulin stabilization L Subedi, MK Teli, JH Lee, BP Gaire, M Kim, SY Kim Cancers 11 (12), 1947, 2019 | 33 | 2019 |
The highly enantioselective phase-transfer catalytic mono-alkylation of malonamic esters M Kim, S Choi, YJ Lee, J Lee, K Nahm, BS Jeong, H Park, S Jew Chemical communications, 782-784, 2009 | 32 | 2009 |
The JAK2 inhibitors CEP-33779 and NVP-BSK805 have high P-gp inhibitory activity and sensitize drug-resistant cancer cells to vincristine JH Cheon, KS Kim, DK Yadav, M Kim, HS Kim, S Yoon Biochemical and biophysical research communications 490 (4), 1176-1182, 2017 | 31 | 2017 |
Structure based design and syntheses of amino-1H-pyrazole amide derivatives as selective Raf kinase inhibitors in melanoma cells M Kim, M Kim, H Yu, H Kim, KH Yoo, T Sim, JM Hah Bioorganic & medicinal chemistry 19 (6), 1915-1923, 2011 | 31 | 2011 |
An enantioselective synthesis of (+)-polyoxamic acid via phase-transfer catalytic conjugate addition and asymmetric dihydroxylation YJ Lee, Y Park, M Kim, S Jew, H Park The Journal of Organic Chemistry 76 (2), 740-743, 2011 | 30 | 2011 |
Insights into the binding modes of CC chemokine receptor 4 (CCR4) inhibitors: a combined approach involving homology modelling, docking, and molecular dynamics simulation studies CG Gadhe, M Kim Molecular BioSystems 11 (2), 618-634, 2015 | 29 | 2015 |