Conformational fidelity and hydrogen bond associability of L-histidine with sulfamate anion studied through XRD, quantum chemical, spectroscopic and molecular …
A Zochedh, A Shunmuganarayanan… - Journal of Molecular …, 2023 - Elsevier
Abstract L-histidinium sulfamate,(C 6 H 10 N 3 O 2)+. SO 3 NH 2−, crystallizes in the
orthorhombic space group, P2 1 2 1 2 1, with four molecules per unit cell. The asymmetric …
orthorhombic space group, P2 1 2 1 2 1, with four molecules per unit cell. The asymmetric …
Theoretical investigation of 5-fluorouracil and tamoxifen complex–structural, spectrum, DFT, ADMET and docking simulation
Combination of FDA approved drugs may be more effective in biological activities by
targeting different protein mechanism at a same time and less toxic. A combination of 5 …
targeting different protein mechanism at a same time and less toxic. A combination of 5 …
Quantum Chemical Investigation, Drug-Likeness and Molecular Docking Studies on Galangin as Alpha-Synuclein Regulator for the Treatment of Parkinson's Disease
Globally the leading source of disability is neurological disorder. The chronic, complex and
rapidly progressive neurological disorder in the world is Parkinson's disease (PD). PD is an …
rapidly progressive neurological disorder in the world is Parkinson's disease (PD). PD is an …
New pyrimidinothiophene derivatives: Synthesis, spectroscopic analysis, X-ray, DFT calculation, biological activity studies and ADMET prediction
Y Ding, Y Zhang, L Yan, L Liu - Journal of Molecular Structure, 2023 - Elsevier
Pyrimidine has been found in numerous essential components of the organism and plays a
significant role in the human body. Therefore, the derivatives have potent antibacterial and …
significant role in the human body. Therefore, the derivatives have potent antibacterial and …
[PDF][PDF] Computer-aided analysis of biochanin-a as a potential breast cancer drug based on dft, molecular docking, and pharmacokinetic studies
Breast cancer is the most often diagnosed and deadliest type of cancer in the world.
Biochanin A is a naturally available isoflavone with various biological and pharmacological …
Biochanin A is a naturally available isoflavone with various biological and pharmacological …
Design, characterizations, DFT, molecular docking and antibacterial studies of some complexes derived from 4-aminpantipyrine with glycine amino acid and ligand
The synthesis of the heterocyclic ligand (LK) involved the combination of 4-amino antipyrine,
4-nitroacetophenone, and glycine. A new series of transition metal complexes of Ni (II), Co …
4-nitroacetophenone, and glycine. A new series of transition metal complexes of Ni (II), Co …
Polymorphism in Chloride Salt of m-Nitroaniline: Structural, Spectroscopic, Thermal, Molecular Docking, Biological, and Quantum Chemical Computational …
The crystal structure of the compound 3-nitroanilinium chloride (3NAC) has been
successfully obtained using the solvent evaporation solution growth method. The structural …
successfully obtained using the solvent evaporation solution growth method. The structural …