Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6 …

A Ramalingam, M Kuppusamy, S Sambandam… - Heliyon, 2022 - cell.com
Abstract Isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6-diphenyl-1, 2, 5, 6-tetrahydropyridine-3-
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …

Microwave assisted synthesis, vibrational spectra, Hirshfeld surface and interaction energy, DFT, topology, in silico ADMET and molecular docking studies of 1, 2-bis …

R Subramaniyan, R Ramarajan, A Ramalingam… - Journal of Molecular …, 2023 - Elsevier
The aim of this research is to synthesize symmetric azine using microwave irradiation. The
symmetrical azine, 1, 2-bis (4-methoxybenzylidene) hydrazine (abbreviated as B4MbH) was …

Integrative ligand-based pharmacophore modeling, virtual screening, and molecular docking simulation approaches identified potential lead compounds against …

MHR Molla, MO Aljahdali, MAA Sumon, AH Asseri… - Pharmaceuticals, 2023 - mdpi.com
Pancreatic cancer is a very deadly disease with a 5-year survival rate, making it one of the
leading causes of cancer-related deaths globally. Focal adhesion kinase 1 (FAK1) is a …

Study of new p-tolylpiperidin-4-one as an anti-Parkinson agent: Synthesis, spectral, XRD-crystal, in silico study, electronic and intermolecular interaction investigations …

A Ramalingam, T Arumugam, A Sagaama… - Materials Chemistry and …, 2024 - Elsevier
This study thoroughly investigated the potential of using 3, 3-dimethyl-2, 6-di-p-tolylpiperidin-
4-one,(DMeTP) as an anti-Parkinson medicine against Parkinson's disease. To accomplish …

Development of Thiazolidinone‐Based Pyrazine Derivatives: Synthesis, Molecular Docking Simulation, and Bioevaluation for Anti‐Alzheimer and Antibacterial …

U Jehangir, S Khan, R Hussain, Y Khan… - Journal of …, 2024 - Wiley Online Library
It is well recognized that heterocyclic compounds have exceptional biomedical applications,
which has led scientists to become increasingly interested in their use in this field in the …

Spectroscopic study, Hirshfeld surface, DFT, in-silico molecular docking and ADMET studies of 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-one (BCIP): a potent …

A Ramalingam, S Sambandam, H Louis… - Journal of Molecular …, 2023 - Elsevier
In this present study, the possibility of using 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …

Study of new carbonitrile as an anti-muscular dystrophy agent: crystal, vibrational spectroscopy, molecular docking, electronic and intermolecular interaction …

A Ramalingam, C Duraisamy, H Louis… - Journal of Molecular …, 2024 - Elsevier
Muscular dystrophy, a genetically induced and highly lethal disease, necessitates urgent
curative solutions. Many therapeutic drugs for this condition incorporate heterocyclic …

Synthesis, exploring the structural, non covalent interaction effects, biological assessment, molecular docking and quantum chemical properties of functionalized new …

A Thangamani, A Ramalingam, S Sambandam… - Journal of Molecular …, 2025 - Elsevier
Abstract The synthesis of 3-benzyl-1-nitroso-2, 6-di-p-tolylpiperidin-4-one 2 has been
carried via the nitrosation of 3-benzyl-2, 6-di-p-tolylpiperidin-4-one 1 with sodium nitrite and …

Green synthesis, Single‐Crystal X‐RD, Hirshfeld Analysis and Anti‐Covid‐19 Molecular Docking Investigation of Symmetrical Azines

S Ramkumar, R Ramarajan - ChemistrySelect, 2023 - Wiley Online Library
Abstract The 1, 2‐bis (3, 4‐dimethoxybenzylidene) hydrazine (VAHD) and 1, 2‐bis (3‐
methoxy‐4‐hydroxybenzylidene) hydrazine (VNHD) are synthesised in a solvent free and …