Tackling SARS‐CoV‐2: Deep Purpose Virtual Screening Identified Compounds to Target the Glycosylated Full‐Length GRP78 DOI
Wael M. Elshemey, Ibrahim M. Ibrahim, Ahmed A. Ezat

и другие.

Advanced Theory and Simulations, Год журнала: 2024, Номер unknown

Опубликована: Июль 8, 2024

Abstract The glucose‐regulated protein 78 (GRP78) is pivotal in endoplasmic reticulum homeostasis and the unfolded response during cellular stress. Experimental validation has shown its role SARS‐CoV‐2 attachment entry. Here, full GRP78 sequence, adding carbohydrate sugars to nucleotide‐binding domain sites, conduct molecular dynamics simulations modeled. Utilizing DeepPurpose virtual screening on COCONUT database, followed by blind structure‐based with AutoDock Vina, top interacting binders identified. Molecular dynamic MM/GBSA reveal stable binding of CNP0339053 CNP0400762 (free energies −43.5 ±6.7 −34.8 ±3.9 kcal mol −1 , respectively). These compounds hold promise as safe antiviral treatments for COVID‐19.

Язык: Английский

A comprehensive overview on the transmission, pathogenesis, diagnosis, treatment, and prevention of SARS‐CoV‐2 DOI
Yiting Zhang,

Setrice Patricia Clarke,

Huanwu Wu

и другие.

Journal of Medical Virology, Год журнала: 2023, Номер 95(5)

Опубликована: Май 1, 2023

Severe acute respiratory syndrome coronavirus (SARS-CoV) is a single positive-strand RNA virus that responsible for the current pandemic world has been facing since 2019. The primary route of transmission SARS-CoV-2 through tract transmission. However, other routes such as fecal-oral, vertical transmission, and aerosol-eye also exist. In addition, it found pathogenesis this involves binding virus's S protein to its host cell surface receptor angiotensin-converting enzyme 2, which results in subsequent membrane fusion required replicate complete entire life. clinical symptoms patients infected with can range from asymptomatic severe. most common seen include fever, dry cough, fatigue. Once these are observed, nucleic acid test done using reverse transcription-polymerase chain reaction. This currently serves main confirmatory tool COVID-19. Despite fact no cure SARS-CoV-2, prevention methods vaccines, specific facial mask, social distancing have proven be quite effective. It imperative understanding virus. To effectively develop new drugs well diagnostic tools, more knowledge about would needed.

Язык: Английский

Процитировано

7
Physiological and Pathological Functions of TMEM30A: An Essential Subunit of P4-ATPase Phospholipid Flippases DOI Creative Commons
Jingyi Li, Yue Zhao, Na Wang

и другие.

Journal of Lipids, Год журнала: 2023, Номер 2023, С. 1 - 9

Опубликована: Май 9, 2023

Phospholipids are asymmetrically distributed across mammalian plasma membrane. The function of P4-ATPases is to maintain the abundance phosphatidylserine (PS) and phosphatidylethanolamine (PE) in inner leaflet as lipid flippases. Transmembrane protein 30A (TMEM30A, also named CDC50A), an essential β subunit most P4-ATPases, facilitates their transport functions. With TMEM30A knockout mice or cell lines, it found that loss has huge influences on survival cells because PS exposure-triggered apoptosis signaling. a promising target for drug discovery due its significant roles various systems diseases. In this review, we summarize functions different systems, present current understanding structures mechanisms TMEM30A-P4-ATPase complexes, discuss how these fundamental aspects may be applied disease treatment.

Язык: Английский

Процитировано

7
Tuberculosis and COVID-19 Dually Affect Human Th17 Cell Immune Response DOI Creative Commons
Анна Старшинова, Igor Kudryavtsev, Artem Rubinstein

и другие.

Biomedicines, Год журнала: 2023, Номер 11(8), С. 2123 - 2123

Опубликована: Июль 27, 2023

COVID-19 infection not only profoundly impacts the detection of tuberculosis (Tbc) but also affects modality in patient immune response. It is important to determine response alterations latent as well SARS-CoV-2-infected patients. Such changes may have underlying effects on development and course further tuberculosis. Here, we aimed review characteristics TB patients or convalescent with (LTBI).We analyzed features For this, publications released from December 2019 March 2023; those which were published accessible international databases ("Medline", "PubMed", "Scopus") keywords such "COVID-19", "SARS-CoV-2", "tuberculosis", "pulmonary tuberculosis", "latent infection", "Treg", "follicular Treg", "Treg subsets", considered.Through our analysis, found that who had been infected previously elevated Th1 Th2 cell levels. High levels cells serve a positive marker, characterizing activated during infection. post-COVID-19 subjects showed decreased Th17 levels, indicating lack development. Moreover, typical associated an increase Treg level, contributes hyperinflammatory response.According data obtained, proceeds dissimilar way due distinct response, elicited by SARS-CoV-2. Importantly, active severe decline Both pathogens lead disturbed responses, increasing risk developing TB. The insights findings this paper be used improve future management individuals

Язык: Английский

Процитировано

7
The Ways of the Virus: Interactions of Platelets and Red Blood Cells with SARS-CoV-2, and Their Potential Pathophysiological Significance in COVID-19 DOI Open Access
Mikhail A. Panteleev, А. Н. Свешникова,

Soslan S. Shakhidzhanov

и другие.

International Journal of Molecular Sciences, Год журнала: 2023, Номер 24(24), С. 17291 - 17291

Опубликована: Дек. 9, 2023

The hematological effects of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) are important in COVID-19 pathophysiology. However, the interactions SARS-CoV-2 with platelets and red blood cells still poorly understood. There conflicting data regarding mechanisms significance these interactions. aim this review is to put together available discuss hypotheses, known suspected virus on cells, their pathophysiological diagnostic significance, potential role virus's transport, propagation, clearance by immune system. We pay particular attention mutual activation platelets, system, endothelium, coagulation how changes evolution SARS-CoV-2. now convincing evidence that along platelet erythroid precursors (but not mature erythrocytes), frequently infected functionally changed. infection yet entirely clear. Still, significantly associated disease severity likely have prognostic development thrombotic pulmonary complications.

Язык: Английский

Процитировано

6
Tackling SARS‐CoV‐2: Deep Purpose Virtual Screening Identified Compounds to Target the Glycosylated Full‐Length GRP78 DOI
Wael M. Elshemey, Ibrahim M. Ibrahim, Ahmed A. Ezat

и другие.

Advanced Theory and Simulations, Год журнала: 2024, Номер unknown

Опубликована: Июль 8, 2024

Abstract The glucose‐regulated protein 78 (GRP78) is pivotal in endoplasmic reticulum homeostasis and the unfolded response during cellular stress. Experimental validation has shown its role SARS‐CoV‐2 attachment entry. Here, full GRP78 sequence, adding carbohydrate sugars to nucleotide‐binding domain sites, conduct molecular dynamics simulations modeled. Utilizing DeepPurpose virtual screening on COCONUT database, followed by blind structure‐based with AutoDock Vina, top interacting binders identified. Molecular dynamic MM/GBSA reveal stable binding of CNP0339053 CNP0400762 (free energies −43.5 ±6.7 −34.8 ±3.9 kcal mol −1 , respectively). These compounds hold promise as safe antiviral treatments for COVID‐19.

Язык: Английский

Процитировано

2