Potential of Plant Bioactive Compounds as SARS‐CoV‐2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study
Since the outbreak of the COVID‐19 (coronavirus disease 19) pandemic, researchers have
been trying to investigate several active compounds found in plants that have the potential to …
been trying to investigate several active compounds found in plants that have the potential to …
[HTML][HTML] Synthesis, molecular structure and urease inhibitory activity of novel bis-Schiff bases of benzyl phenyl ketone: A combined theoretical and experimental …
Background Urease belongs to the family of amid hydrolases with two nickel atoms in their
core structure. On the basis of literature survey, this research work is mainly focused on the …
core structure. On the basis of literature survey, this research work is mainly focused on the …
Non-food bioactive forest product liriodenine: Sources, chemistry, and bioactivities
X Huang, N Hao, Q Wang, R Li, G Zhang… - Industrial Crops and …, 2022 - Elsevier
Liriodenine, an oxoaporphine-type alkaloid, widely exists in various forest plants as a non-
food bioactive natural product. It showed a great diversity of biological effects, such as …
food bioactive natural product. It showed a great diversity of biological effects, such as …
Synthesis, spectroscopic (13C/1H-NMR, FT-IR) investigations, quantum chemical modelling (FMO, MEP, NBO analysis), and antioxidant activity of the bis …
In the current study, we first synthesized the molecule 1, 2-Bis (2-benzimidazolyl)-1, 2-
ethanediol, called C1. The structural properties of C1 were explored by spectroscopic …
ethanediol, called C1. The structural properties of C1 were explored by spectroscopic …
Antioxidant Activity, Molecular Docking and Quantum Studies of New Bis‐Schiff Bases Based on Benzyl Phenyl Ketone Moiety
In the current research work novel bis‐Schiff base products of benzyl phenyl ketone nucleus
were synthesized via two step reactions in excellent yields. Using FTIR, EI‐MS and 1H‐NMR …
were synthesized via two step reactions in excellent yields. Using FTIR, EI‐MS and 1H‐NMR …
Spectroscopic and computational characterizations, Hirshfeld surface investigations, anticancer studies and molecular docking analysis of novel NLO 3-hydroxy-3′, 4 …
K Nagarajan, V Krishnakumar, K Parimala - Bulletin of Materials Science, 2023 - Springer
The molecular structure of the compound, spectroscopic investigations (Fourier transform
infrared, FT-Raman and nuclear magnetic resonance), as well as the frontier energy level …
infrared, FT-Raman and nuclear magnetic resonance), as well as the frontier energy level …
Targeting ctDNA binding and elaborated in-vitro assessments concerning novel Schiff base complexes: Synthesis, characterization, DFT and detailed in-silico …
Two novel complexes for Zn 2+ and VO 2+ ions, were prepared from tridentate dibasic
chelating Schiff base ligand. 1-((3, 5-di-tert-butyl-2-hydroxybenzylidene) amino) naphthalen …
chelating Schiff base ligand. 1-((3, 5-di-tert-butyl-2-hydroxybenzylidene) amino) naphthalen …
Addition of acceptor moiety toward Quinoxaline-based conjugated framework of chromophores for highly efficient organic solar cells
N Maqsood, R Altuijri, LA El Maati, M Ans… - Journal of Physics and …, 2023 - Elsevier
The quantum contemplation of highly unsaturated D-π-A type renewed chromophores
(TQ41-TQ45) constructed on quinoxaline core-based model TQ4 are predicted to suggest …
(TQ41-TQ45) constructed on quinoxaline core-based model TQ4 are predicted to suggest …
Tailoring, structural inspection of novel oxy and non-oxy metal-imine chelates for DNA interaction, pharmaceutical and molecular docking studies
A green synthetic pathway for two mononuclear M (II)-complexes (M= Ni 2+ as a non-oxy-
metal ion and ZrO 2+ as an oxy-metal ion, NiLig and ZrOLig, respectively) of an imino …
metal ion and ZrO 2+ as an oxy-metal ion, NiLig and ZrOLig, respectively) of an imino …
Synthesis of N-acylated pyrazolines: Spectroscopic, crystallographic, Hirshfeld Surface, lead sensing and theoretical studies
Abstract N-Acylated-2-pyrazolines (NA2Pyr) were synthesized from chalcone and hydrazine
hydrate under one pot cyclocondensation in the presence of propionic acid and …
hydrate under one pot cyclocondensation in the presence of propionic acid and …