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Article: [Potential antiviral therapeutics for 2019 Novel Coronavirus].

Li, H / Wang, Y M / Xu, J Y / Cao, B

Zhonghua jie he he hu xi za zhi = Zhonghua jiehe he huxi zazhi = Chinese journal of tuberculosis and respiratory diseases

2020 Volume 43, Issue 3, Page(s) 170–172

Abstract: The recent outbreak of respiratory illness in Wuhan, China is caused by a novel coronavirus, named ... 2019-nCoV, which is genetically close to a bat-derived coronavirus. 2019-nCoV is categorized as beta ... and Middle East respiratory syndrome coronavirus (MERS-CoV). Antiviral drugs commonly used in clinical ...

Abstract	The recent outbreak of respiratory illness in Wuhan, China is caused by a novel coronavirus, named 2019-nCoV, which is genetically close to a bat-derived coronavirus. 2019-nCoV is categorized as beta genus coronavirus, same as the two other strains-severe acute respiratory syndrome coronavirus (SARS-CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV). Antiviral drugs commonly used in clinical practice, including neuraminidase inhibitors (oseltamivir, paramivir, zanamivir, etc.), ganciclovir, acyclovir and ribavirin, are invalid for 2019-nCoV and not recommended. Drugs are possibly effective for 2019-nCoV include: remdesivir, lopinavir/ritonavir, lopinavir/ritonavir combined with interferon-β, convalescent plasma, and monoclonal antibodies. But the efficacy and safety of these drugs for 2019-nCoV pneumonia patients need to be assessed by further clinical trials.
MeSH term(s)	Antibodies, Monoclonal/therapeutic use ; Antiviral Agents/therapeutic use ; Betacoronavirus/drug effects ; China ; Coronavirus Infections/drug therapy ; Cytochrome P-450 CYP3A Inhibitors/therapeutic use ; Humans ; Interferon-beta ; Lopinavir/therapeutic use ; Middle East Respiratory Syndrome Coronavirus ; Pneumonia, Viral/drug therapy ; Ritonavir/therapeutic use ; Severe Acute Respiratory Syndrome/drug therapy
Chemical Substances	Antibodies, Monoclonal ; Antiviral Agents ; Cytochrome P-450 CYP3A Inhibitors ; Lopinavir (2494G1JF75) ; Interferon-beta (77238-31-4) ; Ritonavir (O3J8G9O825)
Keywords	covid19
Language	Chinese
Publishing date	2020-03-01
Publishing country	China
Document type	Journal Article
ZDB-ID	1027965-9
ISSN	1001-0939
ISSN	1001-0939
DOI	10.3760/cma.j.issn.1001-0939.2020.03.004
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: [Potential antiviral therapeutics for 2019 Novel Coronavirus].

Li, H / Wang, Y M / Xu, J Y / Cao, B

Zhonghua jie he he hu xi za zhi = Zhonghua jiehe he huxi zazhi = Chinese journal of tuberculosis and respiratory diseases

2020 Volume 43, Page(s) E002

Abstract: The recent outbreak of respiratory illness in Wuhan, China is caused by a novel coronavirus, named ... 2019-nCoV, which is genetically close to a bat-derived coronavirus. 2019-nCoV is categorized as beta ... CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV). Antiviral drugs commonly used ...

Abstract	The recent outbreak of respiratory illness in Wuhan, China is caused by a novel coronavirus, named 2019-nCoV, which is genetically close to a bat-derived coronavirus. 2019-nCoV is categorized as beta genus coronavirus, same as the two other strains - severe acute respiratory syndrome coronavirus (SARS-CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV). Antiviral drugs commonly used in clinical practice, including neuraminidase inhibitors (oseltamivir, paramivir, zanamivir, etc.), ganciclovir, acyclovir and ribavirin, are invalid for 2019-nCoV and not recommended. Drugs are possibly effective for 2019-nCoV include: remdesivir, lopinavir / ritonavir, lopinavir / ritonavir combined with interferon-β, convalescent plasma, and monoclonal antibodies. But the efficacy and safety of these drugs for 2019-nCoV pneumonia patients need to be assessed by further clinical trials.
Keywords	covid19
Language	Chinese
Publishing date	2020-02-05
Publishing country	China
Document type	English Abstract ; Journal Article
ZDB-ID	1027965-9
ISSN	1001-0939
ISSN	1001-0939
DOI	10.3760/cma.j.issn.1001-0939.2020.0002
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Article: Potential antiviral therapeutics for 2019 Novel Coronavirus

Li, H. / Wang, Y. M. / Xu, J. Y. / Cao, B.

Zhonghua Jie He He Hu Xi Za Zhi

Abstract: The recent outbreak of respiratory illness in Wuhan, China is caused by a novel coronavirus, named ... 2019-nCoV, which is genetically close to a bat-derived coronavirus 2019-nCoV is categorized as beta ... CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV) Antiviral drugs commonly used ...

Abstract	The recent outbreak of respiratory illness in Wuhan, China is caused by a novel coronavirus, named 2019-nCoV, which is genetically close to a bat-derived coronavirus 2019-nCoV is categorized as beta genus coronavirus, same as the two other strains - severe acute respiratory syndrome coronavirus (SARS-CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV) Antiviral drugs commonly used in clinical practice, including neuraminidase inhibitors (oseltamivir, paramivir, zanamivir, etc ), ganciclovir, acyclovir and ribavirin, are invalid for 2019-nCoV and not recommended Drugs are possibly effective for 2019-nCoV include: remdesivir, lopinavir / ritonavir, lopinavir / ritonavir combined with interferon-β, convalescent plasma, and monoclonal antibodies But the efficacy and safety of these drugs for 2019-nCoV pneumonia patients need to be assessed by further clinical trials
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #309
Database	COVID19

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Article: Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking.

Sagaama, Abir / Brandan, Silvia Antonia / Ben Issa, Takoua / Issaoui, Noureddine

Heliyon

2020 Volume 6, Issue 8, Page(s) e04640

Abstract: ... ability of KDH and then ACPS ligands on front of the novel coronavirus disease especially for the first ... selenomethionine (SeM) compounds have been proposed as potential antiviral candidates to treatment of COVID-19 ... potential antiviral candidate to treatment of COVID-19 is ACPS and then, KDH. For a better prediction ...

Abstract	In the present work, the succinic acid (SA), L-pyroglutamic acid (L-PGA), N-phenyl-thioacetamide (N-NPTA), 2-amino-5-chloropyridine hydrogen succinate (ACPS), epigallocatechine Gallate (EGCG) or KDH and, selenomethionine (SeM) compounds have been proposed as potential antiviral candidates to treatment of COVID-19 based on B3LYP/6-311++G∗∗ calculations and molecular docking. Solvation energies, stabilization energies, topological properties have been evaluated as function of acceptors and donors groups present in their structures. ACPS presents the higher reactivity in solution possibly because has the higher nucleophilicity and elecrophilicity indexes while KDH evidence the higher solvation energy probably due to the higher quantity of donors and acceptors groups. NBO studies show that KDH is the most stable in solution. Mapped MEP surfaces have evidenced stronger nucleophilic and electrophilic sites in ACPS, in agreement with the three C=O and two N-H and O-H groups present in this species while KDH has only a C=O group but a total of 19 acceptors and donors groups. From the above studies for six species we can propose that the better potential antiviral candidate to treatment of COVID-19 is ACPS and then, KDH. For a better prediction of the antiviral and anti-inflammatory properties of the proposed compounds, molecular docking calculations were performed by using four structures of COVID-19. Docking results were discussed basing on binding affinities and the interaction types among ligands and different amino acid residues, indicating the powerful ability of KDH and then ACPS ligands on front of the novel coronavirus disease especially for the first and the fourth species (6LU7, 7BTF).
Keywords	covid19
Language	English
Publishing date	2020-08-06
Publishing country	England
Document type	Journal Article
ZDB-ID	2835763-2
ISSN	2405-8440
ISSN	2405-8440
DOI	10.1016/j.heliyon.2020.e04640
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking

Sagaama, Abir / Brandan, Silvia Antonia / Ben Issa, Takoua / Issaoui, Noureddine

Heliyon

Abstract: ... indicating the powerful ability of KDH and then ACPS ligands on front of the novel coronavirus disease ... selenomethionine (SeM) compounds have been proposed as potential antiviral candidates to treatment of COVID-19 ... we can propose that the better potential antiviral candidate to treatment of COVID-19 is ACPS and then, KDH ...

Abstract	In the present work, the succinic acid (SA), L-pyroglutamic acid (L-PGA), N-phenyl-thioacetamide (N-NPTA), 2-amino-5-chloropyridine hydrogen succinate (ACPS), epigallocatechine Gallate (EGCG) or KDH and, selenomethionine (SeM) compounds have been proposed as potential antiviral candidates to treatment of COVID-19 based on B3LYP/6-311++G∗∗ calculations and molecular docking. Solvation energies, stabilization energies, topological properties have been evaluated as function of acceptors and donors groups present in their structures. ACPS presents the higher reactivity in solution possibly because has the higher nucleophilicity and elecrophilicity indexes while KDH evidence the higher solvation energy probably due to the higher quantity of donors and acceptors groups. NBO studies show that KDH is the most stable in solution. Mapped MEP surfaces have evidenced stronger nucleophilic and electrophilic sites in ACPS, in agreement with the three C=O and two N-H and O-H groups present in this species while KDH has only a C=O group but a total of 19 acceptors and donors groups. From the above studies for six species we can propose that the better potential antiviral candidate to treatment of COVID-19 is ACPS and then, KDH. For a better prediction of the antiviral and anti-inflammatory properties of the proposed compounds, molecular docking calculations were performed by using four structures of COVID-19. Docking results were discussed basing on binding affinities and the interaction types among ligands and different amino acid residues, indicating the powerful ability of KDH and then ACPS ligands on front of the novel coronavirus disease especially for the first and the fourth species (6LU7, 7BTF).
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #696602
Database	COVID19

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Article: Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking

Sagaama, Abir / Brandan, Silvia Antonia / Ben Issa, Takoua / Issaoui, Noureddine

Heliyon. 2020 Aug., v. 6, no. 8

2020

Abstract	In the present work, the succinic acid (SA), L-pyroglutamic acid (L-PGA), N-phenyl-thioacetamide (N-NPTA), 2-amino-5-chloropyridine hydrogen succinate (ACPS), epigallocatechine Gallate (EGCG) or KDH and, selenomethionine (SeM) compounds have been proposed as potential antiviral candidates to treatment of COVID-19 based on B3LYP/6-311++G∗∗ calculations and molecular docking. Solvation energies, stabilization energies, topological properties have been evaluated as function of acceptors and donors groups present in their structures. ACPS presents the higher reactivity in solution possibly because has the higher nucleophilicity and elecrophilicity indexes while KDH evidence the higher solvation energy probably due to the higher quantity of donors and acceptors groups. NBO studies show that KDH is the most stable in solution. Mapped MEP surfaces have evidenced stronger nucleophilic and electrophilic sites in ACPS, in agreement with the three C=O and two N–H and O–H groups present in this species while KDH has only a C=O group but a total of 19 acceptors and donors groups. From the above studies for six species we can propose that the better potential antiviral candidate to treatment of COVID-19 is ACPS and then, KDH. For a better prediction of the antiviral and anti-inflammatory properties of the proposed compounds, molecular docking calculations were performed by using four structures of COVID-19. Docking results were discussed basing on binding affinities and the interaction types among ligands and different amino acid residues, indicating the powerful ability of KDH and then ACPS ligands on front of the novel coronavirus disease especially for the first and the fourth species (6LU7, 7BTF).
Keywords	COVID-19 infection ; Lewis acids ; Lewis bases ; Severe acute respiratory syndrome coronavirus 2 ; epigallocatechin gallate ; hydrogen ; ligands ; prediction ; selenomethionine ; solvation ; solvation energy ; succinic acid ; topology
Language	English
Dates of publication	2020-08
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	2835763-2
ISSN	2405-8440
ISSN	2405-8440
DOI	10.1016/j.heliyon.2020.e04640
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking

Abir Sagaama / Silvia Antonia Brandan / Takoua Ben Issa / Noureddine Issaoui

Heliyon, Vol 6, Iss 8, Pp e04640- (2020)

2020

Abstract	In the present work, the succinic acid (SA), L-pyroglutamic acid (L-PGA), N-phenyl-thioacetamide (N-NPTA), 2-amino-5-chloropyridine hydrogen succinate (ACPS), epigallocatechine Gallate (EGCG) or KDH and, selenomethionine (SeM) compounds have been proposed as potential antiviral candidates to treatment of COVID-19 based on B3LYP/6-311++G∗∗ calculations and molecular docking. Solvation energies, stabilization energies, topological properties have been evaluated as function of acceptors and donors groups present in their structures. ACPS presents the higher reactivity in solution possibly because has the higher nucleophilicity and elecrophilicity indexes while KDH evidence the higher solvation energy probably due to the higher quantity of donors and acceptors groups. NBO studies show that KDH is the most stable in solution. Mapped MEP surfaces have evidenced stronger nucleophilic and electrophilic sites in ACPS, in agreement with the three C=O and two N–H and O–H groups present in this species while KDH has only a C=O group but a total of 19 acceptors and donors groups. From the above studies for six species we can propose that the better potential antiviral candidate to treatment of COVID-19 is ACPS and then, KDH. For a better prediction of the antiviral and anti-inflammatory properties of the proposed compounds, molecular docking calculations were performed by using four structures of COVID-19. Docking results were discussed basing on binding affinities and the interaction types among ligands and different amino acid residues, indicating the powerful ability of KDH and then ACPS ligands on front of the novel coronavirus disease especially for the first and the fourth species (6LU7, 7BTF).
Keywords	Pharmaceutical chemistry ; Theoretical chemistry ; Quantum chemical calculation ; COVID-19 treatment ; Molecular docking simulation ; ACPS ; Science (General) ; Q1-390 ; Social sciences (General) ; H1-99 ; covid19
Subject code	540
Language	English
Publishing date	2020-08-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Hesperidin: A Potential Therapeutic Agent against COVID-19.

Dhingra, Ashwani K / Chopra, Bhawna / Rathi, Vaibhav / Sapra, Sameer

Current drug discovery technologies

2022 Volume 20, Issue 2, Page(s) e171022210062

Abstract: COVID-19, aka Coronavirus Disease 2019, triggered by new severe acute respiratory syndrome ... coronavirus-2 or SARS-CoV-2, is now a public health emergency due to its rapid spread, high transmission ... discusses the therapeutic potential of hesperidin, a traditionally used herbal medicine with an exceptional ...

Abstract	COVID-19, aka Coronavirus Disease 2019, triggered by new severe acute respiratory syndrome coronavirus-2 or SARS-CoV-2, is now a public health emergency due to its rapid spread, high transmission efficiency, and severe viral pandemic that is significantly increasing the number of patients and associated deaths. Currently, no specific treatment is available for this highly contagious virus. The unavailability of effective and specific treatments and the severity of this epidemic situation potentiate medicinal chemists' in supporting new prophylactic or therapeutic interventions against COVID-19. This study discusses the therapeutic potential of hesperidin, a traditionally used herbal medicine with an exceptional safety profile. Recent studies on hesperidin advocate its promising potential in the prevention and management of COVID-19. This paper also discusses the recent clinical studies based on the previously documented antiviral activity of hesperidin. Herein, we propose the detailed preclinical and clinical manifestations of hesperidin based on its multifaceted bioactivities to develop a novel anti-COVID-19 lead.
MeSH term(s)	Humans ; COVID-19 ; SARS-CoV-2 ; Hesperidin/pharmacology ; Hesperidin/therapeutic use ; Antiviral Agents/pharmacology ; Antiviral Agents/therapeutic use ; Pandemics
Chemical Substances	Hesperidin (E750O06Y6O) ; Antiviral Agents
Language	English
Publishing date	2022-10-17
Publishing country	United Arab Emirates
Document type	Journal Article
ISSN	1875-6220
ISSN (online)	1875-6220
DOI	10.2174/1570163820666221017111556
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Effect of polyphenols against complications of COVID-19: current evidence and potential efficacy.

Vajdi, Mahdi / Karimi, Arash / Hassanizadeh, Shirin / Farhangi, Mahdieh Abbasalizad / Bagherniya, Mohammad / Askari, Gholamreza / Roufogalis, Basil D / Davies, Neal M / Sahebkar, Amirhossein

Pharmacological reports : PR

2024 Volume 76, Issue 2, Page(s) 307–327

Abstract: ... could aid in developing novel drugs and remedies against coronavirus infection. ... can be extracted and isolated from plants without losing their therapeutic potential. Researchers have ... The COVID-19 pandemic that started in 2019 and resulted in significant morbidity and mortality ...

Abstract	The COVID-19 pandemic that started in 2019 and resulted in significant morbidity and mortality continues to be a significant global health challenge, characterized by inflammation, oxidative stress, and immune system dysfunction.. Developing therapies for preventing or treating COVID-19 remains an important goal for pharmacology and drug development research. Polyphenols are effective against various viral infections and can be extracted and isolated from plants without losing their therapeutic potential. Researchers have developed methods for separating and isolating polyphenols from complex matrices. Polyphenols are effective in treating common viral infections, including COVID-19, and can also boost immunity. Polyphenolic-based antiviral medications can mitigate SARS-CoV-2 enzymes vital to virus replication and infection. Individual polyphenolic triterpenoids, flavonoids, anthraquinonoids, and tannins may also inhibit the SARS-CoV-2 protease. Polyphenol pharmacophore structures identified to date can explain their action and lead to the design of novel anti-COVID-19 compounds. Polyphenol-containing mixtures offer the advantages of a well-recognized safety profile with few known severe side effects. However, studies to date are limited, and further animal studies and randomized controlled trials are needed in future studies. The purpose of this study was to review and present the latest findings on the therapeutic impact of plant-derived polyphenols on COVID-19 infection and its complications. Exploring alternative approaches to traditional therapies could aid in developing novel drugs and remedies against coronavirus infection.
MeSH term(s)	Animals ; Humans ; COVID-19 ; SARS-CoV-2 ; Pandemics ; Antiviral Agents/pharmacology ; Antiviral Agents/therapeutic use ; Antiviral Agents/chemistry ; Polyphenols/pharmacology ; Polyphenols/therapeutic use
Chemical Substances	Antiviral Agents ; Polyphenols
Language	English
Publishing date	2024-03-18
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2186248-5
ISSN	2299-5684 ; 1734-1140
ISSN (online)	2299-5684
ISSN	1734-1140
DOI	10.1007/s43440-024-00585-6
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Potential pharmacological agents for COVID-19.

Kotwani, Anita / Gandra, Sumanth

Indian journal of public health

2020 Volume 64, Issue Supplement, Page(s) S112–S116

Abstract: A novel coronavirus disease 2019 (COVID-19) infection caused by severe acute respiratory syndrome ... coronavirus 2 (SARS-Cov-2) first emerged in December 2019 in Wuhan, China, has become a global pandemic ... an investigational antiviral agent hastens clinical recovery, but a study is yet to be published in peer-reviewed ...

Abstract	A novel coronavirus disease 2019 (COVID-19) infection caused by severe acute respiratory syndrome coronavirus 2 (SARS-Cov-2) first emerged in December 2019 in Wuhan, China, has become a global pandemic. Currently, the management of COVID-19 infection is mainly supportive. Several clinical trials worldwide are evaluating several drugs approved for other indications, as well as multiple investigational agents for the treatment and prevention of COVID-19. Here, we give a brief overview of pharmacological agents and other therapies which are under investigation as treatment options or adjunctive agents for patients infected with COVID-19 and for chemoprophylaxis for the prevention of COVID-19 infection. At the time of writing this commentary, there is no peer-reviewed published evidence from randomized clinical trials of any pharmacological agents improving outcomes in COVID-19 patients. However, it was reported that remdesivir an investigational antiviral agent hastens clinical recovery, but a study is yet to be published in peer-reviewed medical journal.
MeSH term(s)	Antimalarials/therapeutic use ; Antiviral Agents/adverse effects ; Antiviral Agents/pharmacology ; Antiviral Agents/therapeutic use ; Betacoronavirus ; Clinical Trials as Topic ; Coronavirus ; Coronavirus Infections/drug therapy ; Coronavirus Infections/therapy ; Humans ; Immunization, Passive ; Immunoglobulins/therapeutic use ; Interleukins/antagonists & inhibitors ; Pandemics ; Pneumonia, Viral/drug therapy ; Pneumonia, Viral/therapy
Chemical Substances	Antimalarials ; Antiviral Agents ; Immunoglobulins ; Interleukins
Keywords	covid19
Language	English
Publishing date	2020-06-10
Publishing country	India
Document type	Journal Article ; Review
ZDB-ID	800737-8
ISSN	2229-7693 ; 0019-557X
ISSN (online)	2229-7693
ISSN	0019-557X
DOI	10.4103/ijph.IJPH_456_20
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