Recent progress in chemical approaches for the development of novel neuraminidase inhibitors
Influenza virus is the main cause of an infectious disease called influenza affecting the
respiratory system including the throat, nose and lungs. Neuraminidase inhibitors are …
respiratory system including the throat, nose and lungs. Neuraminidase inhibitors are …
Designing Thieno[3,4-c]pyrrole-4,6-dione Core-Based, A2–D–A1–D–A2-Type Acceptor Molecules for Promising Photovoltaic Parameters in Organic Photovoltaic …
Nonfullerene-based organic solar cells can be utilized as favorable photovoltaic and
optoelectronic devices due to their enhanced life span and efficiency. In this research, seven …
optoelectronic devices due to their enhanced life span and efficiency. In this research, seven …
Exploring the molecular structure, vibrational spectroscopic, quantum chemical calculation and molecular docking studies of curcumin: A potential PI3K/AKT uptake …
The IUPAC name of curcumin is (1E, 6E)-1, 7-Bis (4-hydroxy-3methoxyphenyl) hepta-1, 6-e-
3, 5-dione (7B3M5D) and is characterized by spectroscopic profiling with FT-IR and FT …
3, 5-dione (7B3M5D) and is characterized by spectroscopic profiling with FT-IR and FT …
Solvent role in molecular structure, thermodynamic quantities, reactions and electronic transitions (TDDFT) on 2-[piperidin-1-yl] phenol
Vibrational analysis and skeletal parameter were computed using B3LYP method. The
stabilization energy of 2PYP was computed. The charge excitation, hole–electron …
stabilization energy of 2PYP was computed. The charge excitation, hole–electron …
Spectroscopic investigations, quantum chemical calculations and molecular docking studies of Mangiferin-an anti-viral agent of H1N1 Influenza virus
S Bangaru, P Manivannan, S Muthu - Chemical Data Collections, 2020 - Elsevier
Mangiferin (MFN) is an anti-viral agent of H1N1 influenza virus which was reported to inhibit
H1N1 neuraminidase (NA) enzyme with IC 50 value of 0.82 μM. The MFN molecule was …
H1N1 neuraminidase (NA) enzyme with IC 50 value of 0.82 μM. The MFN molecule was …
Synthesis, spectroscopic (FT-IR and NMR), DFT and molecular docking studies of ethyl 1-(3-nitrophenyl)-5-phenyl-3-((4-(trifluoromethyl) phenyl) carbamoyl)-1H …
Trifluoromethyl group containing pyrazole-3-carboxamide derivative is synthesized and the
structure of the molecule (E3N5PC) has been verified by using FT-IR, 1H NMR, 13C NMR …
structure of the molecule (E3N5PC) has been verified by using FT-IR, 1H NMR, 13C NMR …
Probing the Ononin and Corylin molecules against anti-influenza H1N1 A virus: a detailed active site analysis
S Bangaru, K Thamotharan, S Manickam… - Research on Chemical …, 2023 - Springer
Ononin and Corylin drug molecules exhibit antiviral effects against the H1N1 influenza A
virus, with IC50 values of 30% at 200 µM and> 115 µM, respectively. The drug molecules …
virus, with IC50 values of 30% at 200 µM and> 115 µM, respectively. The drug molecules …
Probing the vibrational spectroscopic properties and binding mechanism of anti-influenza agent Liquiritin using experimental and computational studies
B Sathya, S Karthi, K Ajaijawahar, M Prasath - Research on Chemical …, 2020 - Springer
Liquiritin is an anti-viral agent of H1N1 and H3N2 influenza A virus which was reported to
inhibit H1N1 and H3N2 NA enzyme with IC 50 value of 82.3 and> 100 μM, respectively. The …
inhibit H1N1 and H3N2 NA enzyme with IC 50 value of 82.3 and> 100 μM, respectively. The …
Probing the structural properties, binding mode and intermolecular interactions of herbacetin against H1N1 neuraminidase using vibrational spectroscopic, quantum …
S Bangaru, P Manivannan - Research on Chemical Intermediates, 2021 - Springer
Herbacetin (HBN) is an antiviral agent of H1N1 influenza virus which was reported to inhibit
H1N1 neuraminidase (NA) enzyme with IC 50 value of 8.9 μM. The research exploration for …
H1N1 neuraminidase (NA) enzyme with IC 50 value of 8.9 μM. The research exploration for …
Crystal growth, structural, optical, thermal, DFT and SHG studies of an organic crystal: 2, 6-diaminopyridin-1-ium hydrogen glutarate (2, 6 DAG)
K Karthika, C Senthilkumar, KS Dhivya… - Journal of Materials …, 2024 - Springer
Abstract The 2, 6-diaminopyridin-1-ium hydrogen glutarate (2, 6 DAG) organic crystal has
been grown using the slow evaporation method. Density functional theory (DFT) calculation …
been grown using the slow evaporation method. Density functional theory (DFT) calculation …