scholarly journals Study of the Interaction of Zinc Cation with Azithromycin and its Significance in the COVID-19 Treatment: A Molecular Approach

2020 ◽  
Vol 14 (1) ◽  
pp. 33-40
Author(s):  
Jacques H. Poupaert ◽  
Blanche Aguida ◽  
Codjo Hountondji
Keyword(s):  
Quantum Mechanics ◽  
Hydroxyl Group ◽  
Side Chain ◽  
Molecular Approach ◽  
Direct Role ◽  
Zinc Cation ◽  
Pm3 Method ◽  
Chaotropic Agent ◽  
Semi Empirical

Introduction: On account of the current COVID-19 pandemic, we have explored the importance of azithromycin and zinc in the treatment of the coronavirus disease by studying the interaction between the cation Zn++ and azithromycin with the tools of the semi-empirical quantum mechanics PM3 method. Methods: By this approach, the niche in which Zn++ is located was determined. Zn++ creates a strong clastic binding between an amine and a hydroxyl group located on the amino-hexose side-chain. Such an interaction serves as a shuttle and allows zinc cation to invade endocellular structures. Results: In this triple collaborative association, the role of hydroxychloroquine would be more that of a chaotropic agent at plasmic membranes, which facilitates access to the azithromycin-Zn++ equipage into key internal compartments. Conclusion: Finally, we show that both azithromycin and Zn++ are susceptible to play a direct role against the replication and the assembly of SARS-CoV-2 particles.

STEROID TRANSFORMATIONS IN VITRO BY TESTICULAR TISSUE FROM TWO CASES OF TESTICULAR FEMINISATION

1965 ◽  
Vol 49 (2) ◽  
pp. 177-192 ◽  
Author(s):  
R. Neher ◽  
F. W. Kahnt ◽  
G. D. Roversi ◽  
A. Bompiani
Keyword(s):  
Qualitative Difference ◽  
Testicular Tissue ◽  
Hydroxyl Group ◽  
Side Chain ◽  
Ample Evidence ◽  
Adenoma Tissue ◽  
Testicular Feminisation ◽  
Transformation Pattern

ABSTRACT Cryptorchid testicular and testicular adenoma tissue obtained from two patients with the testicular feminisation syndrome was incubated with 3Hor 14C-labelled pregnenolone, 17-hydroxy-pregnenolone, progesterone and androstenedione. In the tissue of both patients a similar steroid transformation pattern was observed. There was abundant biosynthesis of testosterone from androstenedione but rather little from the other precursors. Oestrone and oestradiol were formed only from androstenedione. There is ample evidence of both 17-hydroxylation and side-chain splitting, in particular with the δ5-precursors. From the ratio of the δ5- and δ4-steroids identified, it is concluded that there was, however, little dehydrogenation of the 3β-hydroxyl group. Though there seems to be no qualitative difference as compared with what is known about the possible pathways in testicular tissue from various species, our findings contrast to some extent with those reported previously by other investigators in a few cases of testicular feminisation. The possible role of anti-androgens is discussed.

Conformational Study of Catecholamines in Solution

1983 ◽  
Vol 38 (9-10) ◽  
pp. 758-762 ◽  
Author(s):  
P. Šolmajer
Keyword(s):  
High Resolution ◽  
Aqueous Solutions ◽  
Mole Fraction ◽  
Receptor Site ◽  
Hydroxyl Group ◽  
Side Chain ◽  
Conformational Study ◽  
Pmr Spectroscopy ◽  
Opposite Trend

Abstract Conformations of noradrenaline, dopamine and ephedrine have been studied in aqueous solutions using high resolution PMR spectroscopy. We found that for dopamine the mole fraction of trans rotamer is increased if pH is changed from acidic to basic while for nor­adrenaline and ephedrine the opposite trend is observed: gauche rotamer forms of the side chain become more populated. These changes are discussed in relation to the role of the benzylic hydroxyl group for conformation and/or binding to a receptor site in the biophase.

Modeling the Effects of O-sulfonation on the CID of Serine

2020 ◽  
Author(s):  
Kenneth Lucas ◽  
George Barnes
Keyword(s):  
Sulfo Group ◽  
High Energy ◽  
Empirical Method ◽  
Side Chain ◽  
Energy Structure ◽  
Direct Dynamics ◽  
Theoretical Mass ◽  
Intermolecular Proton Transfer ◽  
Dynamics Simulations ◽  
Semi Empirical

We present the results of direct dynamics simulations and DFT calculations aimed at elucidating the effect of \textit{O}-sulfonation on the collision induced dissociation for serine. Towards this end, direct dynamics simulations of both serine and sulfoserine were performed at multiple collision energies and theoretical mass spectra obtained. Comparisons to experimental results are favorable for both systems. Peaks related to the sulfo group are identified and the reaction dynamics explored. In particular, three significant peaks (m\z 106, 88, and 81) seen in the theoretical mass spectrum directly related to the sulfo group are analyzed as well as major peaks shared by both systems. Our analysis shows that the m\z 106 peaks result from intramolecular rearrangements, intermolecular proton transfer among complexes composed of initial fragmentation products, and at high energy side-chain fragmentation. The \mz 88 peak was found to contain multiple constitutional isomers, including a previously unconsidered, low energy structure. It was also seen that the RM1 semi empirical method was not able to obtain all of the major peaks seen in experiment for sulfoserine. In contrast, PM6 did obtain all major experimental peaks.

Randomness and Complexity

2018 ◽  
Author(s):  
Steven E. Vigdor
Keyword(s):  
Quantum Mechanics ◽  
Natural Selection ◽  
Rna World ◽  
Biological Evolution ◽  
Variable Theory ◽  
Cosmological Natural Selection ◽  
Einstein Podolsky Rosen ◽  
World Hypothesis ◽  
Rna World Hypothesis

Chapter 7 describes the fundamental role of randomness in quantum mechanics, in generating the first biomolecules, and in biological evolution. Experiments testing the Einstein–Podolsky–Rosen paradox have demonstrated, via Bell’s inequalities, that no local hidden variable theory can provide a viable alternative to quantum mechanics, with its fundamental randomness built in. Randomness presumably plays an equally important role in the chemical assembly of a wide array of polymer molecules to be sampled for their ability to store genetic information and self-replicate, fueling the sort of abiogenesis assumed in the RNA world hypothesis of life’s beginnings. Evidence for random mutations in biological evolution, microevolution of both bacteria and antibodies and macroevolution of the species, is briefly reviewed. The importance of natural selection in guiding the adaptation of species to changing environments is emphasized. A speculative role of cosmological natural selection for black-hole fecundity in the evolution of universes is discussed.

scholarly journals The Association of Human Herpesviruses with Malignant Brain Tumor Pathology and Therapy: Two Sides of a Coin

2021 ◽  
Vol 22 (5) ◽  
pp. 2250
Author(s):  
Evita Athanasiou ◽  
Antonios N. Gargalionis ◽  
Fotini Boufidou ◽  
Athanassios Tsakris
Keyword(s):  
Brain Tumor ◽  
Brain Tumors ◽  
Comprehensive Evaluation ◽  
Tumor Development ◽  
Scientific Data ◽  
Malignant Brain Tumor ◽  
Direct Role ◽  
Tumor Pathology ◽  
Human Herpesviruses

The role of certain viruses in malignant brain tumor development remains controversial. Experimental data demonstrate that human herpesviruses (HHVs), particularly cytomegalovirus (CMV), Epstein–Barr virus (EBV) and human herpes virus 6 (HHV-6), are implicated in brain tumor pathology, although their direct role has not yet been proven. CMV is present in most gliomas and medulloblastomas and is known to facilitate oncomodulation and/or immunomodulation, thus promoting cancer cell proliferation, invasion, apoptosis, angiogenesis, and immunosuppression. EBV and HHV-6 have also been detected in brain tumors and high-grade gliomas, showing high rates of expression and an inflammatory potential. On the other hand, due to the neurotropic nature of HHVs, novel studies have highlighted the engagement of such viruses in the development of new immunotherapeutic approaches in the context of oncolytic viral treatment and vaccine-based strategies against brain tumors. This review provides a comprehensive evaluation of recent scientific data concerning the emerging dual role of HHVs in malignant brain pathology, either as potential causative agents or as immunotherapeutic tools in the fight against these devastating diseases.

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