Plumbagin's molecular docking studies as a possible target for the SARS-CoV-2 spike receptor protein DOI Creative Commons

Murugesan Raman -,

Girija Shanmugam -,

Ashokkumar Jayavel -

et al.

International Journal For Multidisciplinary Research, Journal Year: 2023, Volume and Issue: 5(6)

Published: Dec. 20, 2023

Around the end of 2019, reports unusual cases pneumonia with specific symptoms started to arrive in Wuhan, China. Within a few weeks, atypical spread throughout China, and months after that, it became global pandemic. The etiological agent that pandemic, which is officially known as COVID-19, Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). In an attempt find efficient therapy either fight COVID-19 or cure infected people from its tissue damage, researchers around world have been studying several plants, herbs, natural products. Abundant studies revealed organic compounds can be very operative averting virus-mediated infection. purpose this study was accomplish molecular docking among plant-derived naphthoquinone (Plumbagin) spike receptor (THR304) proteins coronavirus. MGL virtual screening tool Biovia Discovery Studio were utilized current investigations. Outcomes exposed selected interacted targeted protein binding energies range -4.0 -9.5 kcal, means energy target ligand -5.78. summary, plumbagin seems more effective primary protease inhibitor than other chosen ligands for deactivating SARS-Coronavirus.

Language: Английский

SARS-CoV-2 Infects Human ACE2-Negative Endothelial Cells through an αvβ3 Integrin-Mediated Endocytosis Even in the Presence of Vaccine-Elicited Neutralizing Antibodies DOI Creative Commons
Antonella Bugatti, Federica Filippini,

Marta Bardelli

et al.

Viruses, Journal Year: 2022, Volume and Issue: 14(4), P. 705 - 705

Published: March 29, 2022

Integrins represent a gateway of entry for many viruses and the Arg-Gly-Asp (RGD) motif is smallest sequence necessary proteins to bind integrins. All Severe Acute Respiratory Syndrome Virus type 2 (SARS-CoV-2) lineages own an RGD (aa 403-405) in their receptor binding domain (RBD). We recently showed that SARS-CoV-2 gains access into primary human lung microvascular endothelial cells (HL-mECs) lacking Angiotensin-converting enzyme (ACE2) expression through this conserved motif. Following its entry, remodels cell phenotype promotes angiogenesis absence productive viral replication. Here, we highlight αvβ3 integrin as main molecule responsible infection HL-mECs via clathrin-dependent endocytosis. Indeed, pretreatment virus with or monoclonal antibody against was found inhibit HL-mECs. Surprisingly, anti-Spike antibodies evoked by vaccination were neither able impair Spike/integrin interaction nor prevent Our data Spike protein functional constraint aimed maintain envelope At same time, our evidences call need intervention strategies neutralize integrin-mediated ACE2-negative vaccine era.

Language: Английский

Citations

30
Molecular Docking studies of Apigenin, Kaempferol, and Quercetin as potential target against spike receptor protein of SARS COV DOI Open Access
Hardeep Singh Tuli, Shivani Sood,

Abhishek Pundir

et al.

Journal of Experimental Biology and Agricultural Sciences, Journal Year: 2022, Volume and Issue: 10(1), P. 144 - 149

Published: Feb. 28, 2022

COVID-19 has been categorized as a pandemic in early 2020 and is known to cause by Severe Acute Respiratory Syndrome Coronavirus (SARS–CoV2). Numerous investigators people the scientific community are trying find superlative way avert cure ailment using phytochemicals. Abundant studies have revealed that flavonoids can be very operative averting virus-mediated infection. The purpose of this study was accomplish molecular docking among plant-derived (Apigenin, Kaempferol, Quercetin) spike receptor (PDB ID: 2AJF) protein coronavirus. Pyrx virtual screening tool biovia discovery studio visualizer were utilized current investigations. Outcomes exposed selected phytochemicals interacted with targeted binding energies range -6.3 -7.3 kcal. In conclusion various ligands, quercetin may better inhibitor for deactivation SARS-Coronavirus.

Language: Английский

Citations

11
New Insights into Bacterial Pathogenesis DOI Creative Commons
Carmelo Biondo

Pathogens, Journal Year: 2022, Volume and Issue: 12(1), P. 38 - 38

Published: Dec. 26, 2022

Pathogenicity, or the ability of a microorganism to cause disease, depends on several factors, among which immune status host and microbial species involved in exposure play key role [...]

Language: Английский

Citations

9
Plumbagin's molecular docking studies as a possible target for the SARS-CoV-2 spike receptor protein DOI Creative Commons

Murugesan Raman -,

Girija Shanmugam -,

Ashokkumar Jayavel -

et al.

International Journal For Multidisciplinary Research, Journal Year: 2023, Volume and Issue: 5(6)

Published: Dec. 20, 2023

Around the end of 2019, reports unusual cases pneumonia with specific symptoms started to arrive in Wuhan, China. Within a few weeks, atypical spread throughout China, and months after that, it became global pandemic. The etiological agent that pandemic, which is officially known as COVID-19, Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). In an attempt find efficient therapy either fight COVID-19 or cure infected people from its tissue damage, researchers around world have been studying several plants, herbs, natural products. Abundant studies revealed organic compounds can be very operative averting virus-mediated infection. purpose this study was accomplish molecular docking among plant-derived naphthoquinone (Plumbagin) spike receptor (THR304) proteins coronavirus. MGL virtual screening tool Biovia Discovery Studio were utilized current investigations. Outcomes exposed selected interacted targeted protein binding energies range -4.0 -9.5 kcal, means energy target ligand -5.78. summary, plumbagin seems more effective primary protease inhibitor than other chosen ligands for deactivating SARS-Coronavirus.

Language: Английский

Citations

0