Relevant bibliographies by topics / COVID-19 Spike Glycoprotein Drug Designing in Silico

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Academic literature on the topic 'COVID-19 Spike Glycoprotein Drug Designing in Silico'

Author: Grafiati
Published: 4 June 2025
Last updated: 1 August 2025

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Journal articles on the topic "COVID-19 Spike Glycoprotein Drug Designing in Silico"

1

Aloufi, Bandar Hamad, Mejdi Snoussi, and Abdel Moneim E. Sulieman. "Antiviral Efficacy of Selected Natural Phytochemicals against SARS-CoV-2 Spike Glycoprotein Using Structure-Based Drug Designing." Molecules 27, no. 8 (2022): 2401. http://dx.doi.org/10.3390/molecules27082401.

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SARS-CoV-2 is a highly virulent coronavirus that first surfaced in late 2019 and has since created a pandemic of the acute respiratory sickness known as “coronavirus disease 2019” (COVID-19), posing a threat to human health and public safety. S-RBD is a coronaviral protein that is essential for a coronavirus (CoV) to bind and penetrate into host cells. As a result, it has become a popular pharmacological target. The goal of this study was to find potential candidates for anti-coronavirus disease 2019 (COVID-19) drugs by targeting severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) S-R
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Prajapat, Rajneesh, Suman Jain, Manish K. Vaishnav, and Sonal Sogani. "In Silico Characterization of Surface Glycoprotein [QHD43416] of Severe Acute Respiratory Syndrome-Coronavirus 2." Chinese Journal of Medical Research 3, no. 2 (2020): 32–36. http://dx.doi.org/10.37515/cjmr.091x.3201.

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The novel coronavirus (SARS-CoV-2) reported from Wuhan, China, that spread rapidly and cause severe acute respiratory syndrome. The disease associated with infection of SARS-CoV-2 that is referred as COVID-19 (Coronavirus Disease 2019). In the present study, the surface glycoprotein [QHD43416] of SARS-CoV-2 was characterized for structure analysis and validation to provide information about its three-dimensional structure by using in silico tools and techniques. The surface glycoprotein [QHD43416] sequence of SARS-CoV-2 was retrieved from NCBI and its PDB file was designed by using phyre2 serv
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3

Umitaibatin, Ramadhita, Azza Hanif Harisna, Muhammad Miftah Jauhar, et al. "Immunoinformatics Study: Multi-Epitope Based Vaccine Design from SARS-CoV-2 Spike Glycoprotein." Vaccines 11, no. 2 (2023): 399. http://dx.doi.org/10.3390/vaccines11020399.

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The coronavirus disease 2019 outbreak has become a huge challenge in the human sector for the past two years. The coronavirus is capable of mutating at a higher rate than other viruses. Thus, an approach for creating an effective vaccine is still needed to induce antibodies against multiple variants with lower side effects. Currently, there is a lack of research on designing a multiepitope of the COVID-19 spike protein for the Indonesian population with comprehensive immunoinformatic analysis. Therefore, this study aimed to design a multiepitope-based vaccine for the Indonesian population usin
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Morebise, Olugbenga, and Sharvari Kulkarni. "Identifying Potential Inhibitors of SARS-CoV-2 from Three Medicinal Plants: An in silico Study." Journal of Advances in Medicine and Medical Research 35, no. 19 (2023): 26–33. http://dx.doi.org/10.9734/jammr/2023/v35i195136.

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Covid-19, caused by SARS-Cov-2, almost brought the world to a standstill due to its transmission from person to person, thereby leading to abrupt changes globally. The virus has utilized different mechanisms to get access into host tissues in order to enact its virulence. One of such is the ligation of its viral spike glycoproteins to the host’s angiotensin converting enzyme-2 (ACE-2) by transmembrane serine protease. Inhibitors of the ACE-2 have been reported to be useful in curtailing the spread of the virus. Medicinal plants have been reported to be used in different communities to fight th
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5

Marhaeny, Honey Dzikri, Aty Widyawaruyanti, Tri Widiandani, Achmad Fuad Hafid, and Tutik Sri Wahyuni. "Phyllanthin and hypophyllanthin, the isolated compounds of Phyllanthus niruri inhibit protein receptor of corona virus (COVID-19) through in silico approach." Journal of Basic and Clinical Physiology and Pharmacology 32, no. 4 (2021): 809–15. http://dx.doi.org/10.1515/jbcpp-2020-0473.

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Abstract Objectives Phyllanthus niruri has been known as an immunomodulator and also reported to possess an antiviral activity against several RNA viruses, such as hepatitis B virus and hepatitis C virus by inhibiting viral entry and replication. Since the current situation of Coronavirus Disease 2019 (COVID-19) which infected among the world and caused severe disease and high morbidity, it urgently needed to find new agents against COVID-19. Therefore, in silico screening against COVID-19 receptors is carried out as an initial stage of drug discovery by evaluating the activity of phyllanthin
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Harish, M., C. V. Ranjith, and C. Sethulekshmy Nair. "Effectiveness of Quercetin and Its Derivatives Against SARS CoV2 -In silico Approach." Journal of Experimental Biology and Agricultural Sciences 10, no. 5 (2022): 1003–15. http://dx.doi.org/10.18006/2022.10(5).1003.1015.

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The COVID-19 pandemic that erupted in November 2019 is continuing, with no effective antiviral agent to date. Synthetic antiviral agents have limitations such as a narrow range of therapeutic effectiveness of the activity, toxicity, and resistant viral strains and traditional antiviral medicines at large seem not to have these limitations. Here, some of the existing phytochemicals are cherry-picked for repurposing against the enzyme or protein targets of SARS CoV2, by the principles of structure-based drug design based on molecular docking studies. The most important drug targets of SARS CoV2
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Mousavi, Sarah, Shima Zare, Mahmoud Mirzaei, and Awat Feizi. "Novel Drug Design for Treatment of COVID-19: A Systematic Review of Preclinical Studies." Canadian Journal of Infectious Diseases and Medical Microbiology 2022 (September 25, 2022): 1–70. http://dx.doi.org/10.1155/2022/2044282.

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Background. Since the beginning of the novel coronavirus (SARS-CoV-2) disease outbreak, there has been an increasing interest in discovering potential therapeutic agents for this disease. In this regard, we conducted a systematic review through an overview of drug development (in silico, in vitro, and in vivo) for treating COVID-19. Methods. A systematic search was carried out in major databases including PubMed, Web of Science, Scopus, EMBASE, and Google Scholar from December 2019 to March 2021. A combination of the following terms was used: coronavirus, COVID-19, SARS-CoV-2, drug design, dru
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Umar, Haruna Isiyaku, Ijeoma Akunna Duru, Uchechi Emmanuela Enenebeaku, Lynda Chioma Ngozi Olehi, Christian Ebere Enyoh, and Chidi Edbert Duru. "Inhibitory potentials of ivermectin, nafamostat, and camostat on spike protein and some nonstructural proteins of SARS-CoV-2: Virtual screening approach." Jurnal Teknologi Laboratorium 11, no. 1 (2022): 33–42. http://dx.doi.org/10.29238/teknolabjournal.v11i1.344.

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The search for potent oral drugs either through synthetic routes or by drug repurposing for combating the dreaded covid-19 virus is still ongoing. The coronavirus spike glycoprotein and several other non-structural proteins play crucial roles in the replication and transmission of this virus. Recent research have identified ivermectin, nafamostat, and camostat as promising drug inhibitors of SARS-CoV-2 target proteins. The broad-spectrum inhibitory action of ivermectin, nafamostat, and camostat on the spike glycoprotein and some non-structural proteins of this virus was studied in silico. The
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Shah, Mohibullah, Ramsha Yamin, Iqra Ahmad, et al. "In-silico evaluation of natural alkaloids against the main protease and spike glycoprotein as potential therapeutic agents for SARS-CoV-2." PLOS ONE 19, no. 1 (2024): e0294769. http://dx.doi.org/10.1371/journal.pone.0294769.

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Severe Acute Respiratory Syndrome Corona Virus (SARS-CoV-2) is the causative agent of COVID-19 pandemic, which has resulted in global fatalities since late December 2019. Alkaloids play a significant role in drug design for various antiviral diseases, which makes them viable candidates for treating COVID-19. To identify potential antiviral agents, 102 known alkaloids were subjected to docking studies against the two key targets of SARS-CoV-2, namely the spike glycoprotein and main protease. The spike glycoprotein is vital for mediating viral entry into host cells, and main protease plays a cru
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Manna, Sounik, Trinath Chowdhury, Santi M. Mandal, and Sujata Maiti Choudhury. "Short Amphiphiles or Micelle Peptides May Help to Fight Against COVID-19." Current Protein & Peptide Science 23, no. 1 (2022): 33–43. http://dx.doi.org/10.2174/1389203723666220127154159.

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Background: COVID-19 is a worldwide threat because of the incessant spread of SARS-CoV-2 which urges the development of suitable antiviral drug to secure our society. Already, a group of peptides have been recommended for SARS-CoV-2, but not yet established. SARS-CoV-2 is an enveloped virus with hydrophobic fusion protein and spike glycoproteins. Methods: Here, we have summarized several reported amphiphilic peptides and their in-silico docking analysis with spike glycoprotein of SARS-CoV-2. Result: The result revealed the complex formation of spike protein and amphiphilic peptides with higher
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Book chapters on the topic "COVID-19 Spike Glycoprotein Drug Designing in Silico"

1

Sanyal, Saptarshi, and Priyanka Banerjee. "Implementation of In-Silico Drug Design to Find Natural Product-Based SARS-CoV 2 Spike Protein Inhibitor." In New Avenues in Drug Discovery and Bioactive Natural Products. BENTHAM SCIENCE PUBLISHERS, 2023. http://dx.doi.org/10.2174/9789815136326123020010.

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COVID-19 has been a threat to the whole world due to its massive amount of infectivity. The causative SARS- CoV virus has an extremely small biological footprint. However, it has the ability to bind with the host cell, which, in this case, the human upper respiratory tract, with the intervention of a minimal amount of enzymes and energy. For this anchoring, this virus uses a specially designed protein known as the spike protein or S-protein which also gives the virus its unique shape. Unfortunately, even after the discovery of the vaccine, the number of people getting it is still significant.
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