| Exploring Colorimetric Real-Time Sensing Behavior of a Newly Designed CT Complex toward Nitrobenzene and Co2+: Spectrophotometric, DFT/TD-DFT, and … IM Khan, S Shakya ACS omega 4 (6), 9983-9995, 2019 | 73 | 2019 |
| Charge transfer complex based real-time colorimetric chemosensor for rapid recognition of dinitrobenzene and discriminative detection of Fe2+ ions in aqueous media and human … S Shakya, IM Khan, M Ahmad Journal of Photochemistry and Photobiology A: Chemistry 392, 112402, 2020 | 64 | 2020 |
| Preparation, single-crystal investigation and spectrophotometric studies of proton transfer complex of 2, 6-diaminopyridine with oxalic acid in various polar solvents IM Khan, S Shakya, N Singh Journal of Molecular Liquids 250, 150-161, 2018 | 63 | 2018 |
| Charge transfer complexes: Emerging and promising colorimetric real-time chemosensors for hazardous materials S Shakya, IM Khan Journal of Hazardous Materials 403, 123537, 2021 | 57 | 2021 |
| Synthesis, characterization, antimicrobial and DNA binding properties of an organic charge transfer complex obtained from pyrazole and chloranilic acid IM Khan, M Islam, S Shakya, K Alam, N Alam, M Shahid Bioorganic chemistry 99, 103779, 2020 | 49 | 2020 |
| Multispectroscopic and computational analysis insight into the interaction of cationic diester-bonded gemini surfactants with serine protease α-chymotrypsin M Akram, H Lal, S Shakya, Kabir-ud-Din ACS omega 5 (7), 3624-3637, 2020 | 48 | 2020 |
| Exploring interaction dynamics of designed organic cocrystal charge transfer complex of 2-hydroxypyridine and oxalic acid with human serum albumin: Single crystal … IM Khan, S Shakya, R Akhtar, K Alam, M Islam, N Alam Bioorganic chemistry 100, 103872, 2020 | 46 | 2020 |
| Novel thiophene Chalcones-Coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and molecular dynamics … AH Hasan, S Murugesan, SI Amran, S Chander, MM Alanazi, TB Hadda, ... Bioorganic Chemistry 119, 105572, 2022 | 44 | 2022 |
| Synthesis and spectrophotometric studies of CT complex between 1, 2-dimethylimidazole and picric acid in different polar solvents: Exploring antimicrobial activities and … IM Khan, S Shakya, M Islam, S Khan, H Najnin Physics and Chemistry of Liquids 59 (5), 753-769, 2021 | 40 | 2021 |
| Low concentrated phosphorus sorption in aqueous medium on aragonite synthesized by carbonation of seashells: Optimization, kinetics, and mechanism study MD Khan, S Shakya, HHT Vu, L Habte, JW Ahn Journal of Environmental Management 280, 111652, 2021 | 40 | 2021 |
| Synthesis, spectroscopic characterization, antimicrobial activity, molecular docking and DFT studies of proton transfer (H-bonded) complex of 8-aminoquinoline (donor) with … IM Khan, M Islam, S Shakya, N Alam, S Imtiaz, MR Islam Journal of Biomolecular Structure and Dynamics 40 (22), 12194-12208, 2022 | 36 | 2022 |
| Potential inhibitory activity of phytoconstituents against black fungus: In silico ADMET, molecular docking and MD simulation studies NH Hussen, AH Hasan, J Jamalis, S Shakya, S Chander, H Kharkwal, ... Computational Toxicology 24, 100247, 2022 | 29 | 2022 |
| In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions AH Hasan, NH Hussen, S Shakya, J Jamalis, MRF Pratama, S Chander, ... Structural Chemistry 33 (5), 1645-1665, 2022 | 26 | 2022 |
| Crystal structure, topology, DFT and hirshfeld surface analysis of a novel charge transfer complex (L3) of anthraquinone and 4-{[(anthracen-9-yl) meth-yl] amino}-benzoic acid … A Ahmed, A Fatima, S Shakya, QI Rahman, M Ahmad, S Javed, ... Molecules 27 (5), 1724, 2022 | 26 | 2022 |
| Synthesis and spectroscopic characterizations of nanostructured charge transfer complexes associated between moxifloxacin drug donor and metal chloride acceptors as a catalytic … MS Refat, HA Saad, AA Gobouri, M Alsawat, AMA Adam, S Shakya, ... Journal of Molecular Liquids 349, 118121, 2022 | 26 | 2022 |
| Synthesis, DFT and In Silico Anti-COVID Evaluation of Novel Tetrazole Analogues J Devasia, S Chinnam, K Khatana, S Shakya, F Joy, M Rudrapal, A Nizam Polycyclic Aromatic Compounds 43 (3), 1941-1956, 2023 | 25 | 2023 |
| Solvatochromic absorbance and fluorescence probe behavior within ionic liquid+ γ-butyrolactone mixture MR Islam, S Shakya, A Selim, MS Alam, M Ali Journal of Chemical & Engineering Data 64 (9), 4169-4180, 2019 | 25 | 2019 |
| Enhancing the antipsychotic effect of risperidone by increasing its binding affinity to serotonin receptor via picric acid: A molecular dynamics simulation M Alhomrani, WF Alsanie, AS Alamri, H Alyami, H Habeeballah, ... Pharmaceuticals 15 (3), 285, 2022 | 24 | 2022 |
| Thermodynamic and structural studies of newly prepared CT complex between pyrazole as a donor and salicylic acid as acceptor at various temperatures in ethanol IM Khan, K Alam, M Afshan, S Shakya, M Islam Journal of Molecular Structure 1206, 127758, 2020 | 24 | 2020 |
| Molecular engineering of complexation between RNA and biodegradable cationic gemini surfactants: Role of the hydrophobic chain length M Akram, H Lal, S Shakya, R Varshney Molecular Systems Design & Engineering 7 (5), 487-506, 2022 | 23 | 2022 |
DR. MAIDUL ISLAMDepartment of Chemistry, Aligarh Muslim UniversityEmail confirmado em myamu.ac.in
