Molecular structure, DFT, vibrational spectra with fluorescence effect, hirshfeld surface, docking simulation and antioxidant activity of thiazole derivative HA Khamees, YHE Mohammed, A Swamynayaka, FH Al‐Ostoot, Y Sert, ... ChemistrySelect 4 (15), 4544-4558, 2019 | 35 | 2019 |
Effect of o-difluoro and p-methyl substituents on the structure, optical properties and anti-inflammatory activity of phenoxy thiazole acetamide derivatives: Theoretical and … HA Khamees, YHE Mohammed, S Ananda, FH Al-Ostoot, Y Sangappa, ... Journal of Molecular Structure 1199, 127024, 2020 | 34 | 2020 |
Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromophenyl) imidazo [1, 2-a] pyridine HA Khamees, K Chaluvaiah, NA El-Khatatneh, A Swamynayaka, ... Acta Crystallographica Section E: Crystallographic Communications 75 (11 …, 2019 | 17 | 2019 |
Structural, thermal, dielectric, nonlinear optical properties and DFT investigations of a novel material 2-(6-chloropyridin-3-yl)-N'-(2, 3-dihydro-1, 4-benzodioxin-6 … S Ananda, HA Khamees, M Mahendra, C Kumara, D Jagadeesh Prasad, ... Journal of Materials Science: Materials in Electronics 32, 14677-14702, 2021 | 15 | 2021 |
Discovery of Pyrimidine-and Coumarin-Linked Hybrid Molecules as Inducers of JNK Phosphorylation through ROS Generation in Breast Cancer Cells NY Kim, D Vishwanath, Z Xi, O Nagaraja, A Swamynayaka, ... Molecules 28 (8), 3450, 2023 | 10 | 2023 |
Development of 1-(4-(Substituted) piperazin-1-yl)-2-((2-((4-methoxybenzyl) thio) pyrimidin-4-yl) oxy) ethanones That Target Poly (ADP-Ribose) Polymerase in Human Breast Cancer … SN Deveshegowda, PK Metri, R Shivakumar, JR Yang, S Rangappa, ... Molecules 27 (9), 2848, 2022 | 9 | 2022 |
Third-order nonlinear response of a novel organic acetohydrazide derivative: Experimental and theoretical approach A Swamynayaka, K Venkatesha, KK Harish, BN Revanna, C Venkatesh, ... Optical Materials 139, 113826, 2023 | 6 | 2023 |
Third-order nonlinear optical studies of Bis (4-methylbenzylammonium) tetrachloridocuprate metal-organic crystal with optical limiting behavior: Experimental and theoretical … A Swamynayaka, MS Srinivas, V Vahini, HA Khamees, M Madegowda, ... Journal of Molecular Structure 1269, 133827, 2022 | 6 | 2022 |
Nano-Zirconium Dioxide Catalyzed Multicomponent Synthesis of Bioactive Pyranopyrazoles That Target Cyclin Dependent Kinase 1 in Human Breast Cancer Cells B Basappa, LK Poonacha, Z Xi, D Vishwanath, JR Yang, O Nagaraja, ... Biomedicines 11 (1), 172, 2023 | 5 | 2023 |
De Novo Design of Imidazopyridine-Tethered Pyrazolines That Target Phosphorylation of STAT3 in Human Breast Cancer Cells A Ravish, R Shivakumar, Z Xi, MH Yang, JR Yang, A Swamynayaka, ... Bioengineering 10 (2), 159, 2023 | 4 | 2023 |
Methyl-Thiol-Bridged Oxadiazole and Triazole Heterocycles as Inhibitors of NF-κB in Chronic Myelogenous Leukemia Cells B Basappa, YY Jung, A Ravish, Z Xi, A Swamynayaka, M Madegowda, ... Biomedicines 11 (6), 1662, 2023 | 3 | 2023 |
Synthesis, molecular structure, DFT studies, in silico docking and molecular dynamics simulations of 2, 6 dimethoxychalcone derivatives as BRD4 inhibitors HA Khamees, M Madegowda, S Ananda, Y Sangappa, FH Al-Ostoot, ... Journal of Molecular Structure 1245, 131032, 2021 | 3 | 2021 |
Investigation of npb analogs that target phosphorylation of bad-ser99 in human mammary carcinoma cells SS Girimanchanaika, D Dukanya, A Swamynayaka, DM Govindachar, ... International Journal of Molecular Sciences 22 (20), 11002, 2021 | 3 | 2021 |
Growth, crystal structure, Hirshfeld surface analysis, DFT and nonlinear optical studies of bis (4-methoxybenzylammonium) tetrachloridocadmate (II) S Ananda, HA Khamees, NR Bhavya, M Mahendra AIP Conference Proceedings 2265 (1), 2020 | 2 | 2020 |
Chalcone-based Turn-Off Chemosensor for Selective and Susceptible Detection of Fe2+ Ions: Spectroscopic and DFT Investigations BN Revanna, V Kamat, A Swamynayaka, KK Harish, K Venkatesha, ... Journal of Fluorescence, 1-15, 2024 | 1 | 2024 |
Physicochemical properties of thiazole-based NLO crystal: An efficient material for optoelectronic applications K Venkatesha, K Sheela, MS Srinivas, A Swamynayaka, M Madegowda, ... Journal of Molecular Structure, 139459, 2024 | | 2024 |
A simple fluorescent “Turn-Off” Schiff base sensor for Cu2+ and Fe2+ ions and its applications in real water sample analysis and logic gate construction MJ Priya, HD Revanasiddappa, B Jayalakshmi, A Swamynayaka, ... Polyhedron, 117110, 2024 | | 2024 |
Crystal structure, molecular mechanics and In silico analyses of piperizine derivative against human mammary carcinoma cells inhibition. HK Kumar, S Ananda, V Keerthikumara, M Mahendra IOP Conference Series: Materials Science and Engineering 1300 (1), 012007, 2024 | | 2024 |
Computational and experimental studies of nonlinear optical properties of acetohydrazide derivative S Ananda, V Keerthikumara, NR Bhavya, HN Harshitha, S Pooja, ... AIP Conference Proceedings 2995 (1), 2024 | | 2024 |
Structural, DFT and nonlinear optical studies of hemihydrate thiadiazole derivative S Ananda, V Keerthikumara, HK Keshav, V Chethan, S Pooja, K Rudresh, ... AIP Conference Proceedings 2995 (1), 2024 | | 2024 |