Jusanin, a New Flavonoid from Artemisia commutata with an In Silico Inhibitory Potential against the SARS-CoV-2 Main Protease

YM Suleimen, RA Jose, RN Suleimen, C Arenz… - Molecules, 2022 - mdpi.com
A new flavonoid, Jusanin,(1) has been isolated from the aerial parts of Artemisia commutata.
The chemical structure of Jusanin has been elucidated using 1D, 2D NMR, and HR-Ms …

Isolation and In Silico Anti-SARS-CoV-2 Papain-Like Protease Potentialities of Two Rare 2-Phenoxychromone Derivatives from Artemisia spp.

YM Suleimen, RA Jose, RN Suleimen, C Arenz… - Molecules, 2022 - mdpi.com
Two rare 2-phenoxychromone derivatives, 6-demethoxy-4-O-capillarsine (1) and tenuflorin
C (2), were isolated from the areal parts of Artemisia commutata and A. glauca, respectively …

Isolation and In Silico SARS-CoV-2 Main Protease Inhibition Potential of Jusan Coumarin, a New Dicoumarin from Artemisia glauca

YM Suleimen, RA Jose, RN Suleimen, MY Ishmuratova… - Molecules, 2022 - mdpi.com
A new dicoumarin, jusan coumarin,(1), has been isolated from Artemisia glauca aerial parts.
The chemical structure of jusan coumarin was estimated, by 1D, 2D NMR as well as HR-Ms …

Aromaticity of nucleic acid bases

H Szatylowicz, OA Stasyuk, M Solà… - Wiley Interdisciplinary …, 2021 - Wiley Online Library
Abstract 3D shape and the resulting physicochemical properties of double‐helical DNA/RNA
structures are determined not only by individual nucleobases, but also by their additive …

Quantitative assessment of aromaticity and antiaromaticity utilizing vibrational spectroscopy

D Setiawan, E Kraka, D Cremer - The Journal of Organic …, 2016 - ACS Publications
Vibrational frequencies can be measured and calculated with high precision. Therefore, they
are excellent tools for analyzing the electronic structure of a molecule. In this connection, the …

[HTML][HTML] Application of the extended HOMED (harmonic oscillator model of aromaticity) index to simple and tautomeric five-membered heteroaromatic cycles with C, N …

ED Raczyńska - Symmetry, 2019 - mdpi.com
The geometry-based HOMA (Harmonic Oscillator Model of Aromaticity) descriptor, based on
the reference compounds of different delocalizations of n-and π-electrons, can be applied to …

Oxygen Vacancy Mediated Reactivity of CaO/CuO Composite for the Synthesis of Amino‐N‐heterocycles

K Rajendran, R Madampadi, S Shee… - …, 2023 - Wiley Online Library
Utilising the oxygen‐vacancy‐mediated reactivity of CaO/CuO and hydrazine monohydrate
in isopropyl alcohol at 353 K, a variety of amino‐derivatives of N‐heterocycles, including …

Effect of alkali metal cations on length and strength of hydrogen bonds in DNA base pairs

OA Stasyuk, M Sola, M Swart… - …, 2020 - Wiley Online Library
For many years, non‐covalently bonded complexes of nucleobases have attracted
considerable interest. However, there is a lack of information about the nature of hydrogen …

Quantum-chemical studies on the favored and rare isomers of isocytosine

ED Raczyńska - Computational and Theoretical Chemistry, 2017 - Elsevier
Quantum-chemical calculations have been performed for twenty-one favored and rare
isomers of neutral isocytosine in two extreme media, in the gas phase {B3LYP/6-311+ G (d …

The σ+ π dual aromaticity of typical bi‐tetrazole ring molecule TKX‐50

C Yang, H Dong, X Li, N Zhou, Y Liu, J Jin… - …, 2024 - Wiley Online Library
Abstract Two complexes of dihydroxylammonium 5, 5'‐bistetrazole‐1, 1'‐diolate (TKX‐50)
were employed to evaluate the aromaticity of their tetrazole rings via deep analysis such as …