Update on therapeutic approaches and emerging therapies for SARS-CoV-2 virus

Omolo, Calvin A.; Soni, Nikki; Fasiku, Victoria Oluwaseun; Mackraj, Irene

doi:10.1016/j.ejphar.2020.173348

Cited by 58 publications

(62 citation statements)

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“…Meanwhile, it is also crucial to understand the pathogenic mechanism of SARS-CoV2 to develop effective drugs or vaccines against the virus. Based on the virus pathogenesis and clinical manifestations, several studies have put forwarded potential therapeutic drug targets of SARS-CoV2 (Omolo et al., 2020 ). Among the several drug targets, coronavirus 3CLpro and PLpro are considered to be crucial targets of COVID-19 management (Zhou et al., 2020 ).…”

Section: Introductionmentioning

confidence: 99%

Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19

Swargiary

Mahmud

Saleh

2020

Journal of Biomolecular Structure and Dynamics

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COVID-19 and its causative organism SARS-CoV2 that emerged from Wuhan city, China have paralyzed the world. With no clinically approved drugs, the global health system is struggling to find an effective treatment measure. At this crucial juncture, screening of plant-derived compounds may be an effective strategy to combat COVID-19. The present study investigated the binding affinity of phytocompounds with 3-Chymotrypsin-like (3CLpro) and Papain-like proteases (PLpro) of SARS-CoV2 using in-silico techniques. A total of 32 anti-protease phytocompounds were investigated for the binding affinity to the proteins. Docking was performed in Autodock Vina. Pharmacophore descriptors of best ligands were studied using LigandScout. Molecular dynamics (MD) simulation of apo-protein and ligand-bound complexes was carried out in YASARA software. The druglikeness properties of phytocompounds were studied using ADMETlab. Out of 32 phytochemicals, amentoflavone and gallocatechin gallate showed the best binding affinity to 3CLpro (–9.4 kcal/mol) and PLpro (–8.8 kcal/mol). Phytochemicals such as savinin, theaflavin-3,3-digallate, and kazinol-A also showed strong affinity. MD simulation revealed ligand-induced conformational changes in the protein with decreased surface area and higher stability. The RMSD/F of proteins and ligands showed stability of the protein suggesting the effective binding of the ligand in both the proteins. Both amentoflavone and gallocatechin gallate possess promising druglikeness property. The present study thus suggests that Amentoflavone and Gallocatechin gallate may be potential inhibitors of 3CLpro and PLpro proteins and effective drug candidates for SARS-CoV2. However, the findings of in silico study need to be supported by in vivo studies to establish the exact mode of action. Communicated by Ramaswamy H. Sarma

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Section: Introductionmentioning

confidence: 99%

Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19

Swargiary

Mahmud

Saleh

2020

Journal of Biomolecular Structure and Dynamics

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“…97% of symptomatic patients developed the symptoms within 11.5 days. (Omolo, C.A et al 2020) [10]. The most common symptoms of coronavirus disease are fever, dry cough, and tiredness.…”

Section: Fig 1 Diagram Of Coronavirus Structure Binding Of Spike Pmentioning

confidence: 99%

“…Less common symptoms were Sputum production (28%), headache (8%), hemoptysis (5%), and diarrhea (3%) [11]. COVID19 shows its sign in the form of disorder of the central or peripheral nervous system, acute cardiac, kidney, liver injury, coagulopathy, shock, and lymphopenia [10]. Due to viral infection in the lungs, throat, and trachea, these become viral factories that cause damage to other cells.…”

Section: Fig 1 Diagram Of Coronavirus Structure Binding Of Spike Pmentioning

confidence: 99%

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Coronavirus (COVID-19) Symptoms, Treatment, and Recent Medical Challenges to the World: A Review

Asif¹,

Sohail²,

Muqadas³

et al. 2020

KJDMR

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Coronavirus infections have emerged as epidemic and pandemic threats throughout the world. Severe acute respiratory syndrome coronavirus (SARS-CoV-2) has spread across 203 countries and territories in all 5 major continents. World Health Organization (WHO) declared this as a public health emergency of international concern on January 30, 2020. Subsequently, on February 11, 2020, a new name was given to this disease i.e. COVID-19 by an expert group from WHO. As of 3:37 pm CEST, 14 August 2020, there have been 20,730,456 confirmed cases of COVID-19, including 751,154 deaths, reported to WHO. It possibly originated from a small animal market in Wuhan, China. A cluster of patients was admitted with unusual pneumonia not responding to treatment in various hospitals. Epidemiological, genomic analysis and correlation with other coronaviruses led to the isolation of new coronavirus, closely resembling the bat coronaviruses, from such patients in Wuhan. They were identified as the SARS-CoV-2. This virus infection presents an influenza-like illness in the affected people. Fever, cough, respiratory distress with fatigue, diarrhea, nausea, and vomiting are common symptoms seen in adults. The transmissibility of SARS-CoV-1 was less as compared to SARS-CoV-2 infection, and it was well controlled with good public health efforts. The present COVID-19 epidemic is still in the acceleration phase of 3 and 4 in various countries. Without any effective antiviral agents available at present, the need of the hour is early case detection, isolation of cases, use of good preventive care measures by the household contacts and in the hospital setup. Here, we have placed the symptoms and treatment schemes for the COVID-19 from the practice of different research organizations of the World including WHO.

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“…Submissions were received from all around the world and the breadth of the topics covered is remarkable. Several of the topic areas that the articles discuss are antiviral drugs ( Wang and Chen, 2020 ), drug discovery ( Madadlou, 2020 ; Soni et al, 2020 ), drug-related adverse events ( Paniri et al, 2020 ), drug repurposing or adjunct therapies ( Bibi et al, 2020 ; Costa et al, 2020 ; El Tabaa and El Tabaa, 2020 ; Habibzadeh et al, 2020 ; Islam et al, 2020 ; Lopachev et al, 2020 ; Monji et al, 2020 ; Omolo et al, 2020 ; Otreba et al, 2020 ), immunopharmacology ( Booz et al, 2020 ), inflammatory pathways ( Yarmohammadi et al, 2020 ), involvement of the renin-angiotensin system ( Kaur et al, 2020 ; Sharifkashani et al, 2020 ; Vitiello and Ferrara, 2020 ), molecular docking and modeling studies ( Deshpande et al, 2020 ; Vijayakumar et al, 2020 ), natural product-derived drugs or supplements ( Sahebnasagh et al, 2020 ; Tang et al, 2020 ), potential therapeutic targets ( Krishna et al, 2020 ; Sureda et al, 2020 ), real-world developments and pharmacotherapeutics ( Awasthi et al, 2020 ; Chibber et al, 2020 ; Khan et al, 2020 ; Lam et al, 2020 ; Marcolino et al, 2020 ; Monpara et al, 2020 ; Nittari et al, 2020 ; Samudrala et al, 2020 ), and targeting oxidative stress ( Alamdari et al, 2020 ). These are not exclusive and some overlap of course occurs among the articles in the areas that are discussed, but each contribution offers a unique perspective on the current approaches of the discipline called pharmacology.…”

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confidence: 99%

Science unites a troubled world: Lessons from the pandemic

Booz

Zouein

2021

European Journal of Pharmacology

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European Journal of Pharmacology has published a special issue entitled Therapeutic targets and pharmacological treatment of COVID- 19 that contains more than 30 manuscripts. Scientists from around the world contributed both review articles and original manuscripts that are remarkable in their diversity. Each contribution offers a unique perspective on the current approaches of the discipline called pharmacology. Yet the contributions share an enthusiasm to put forward a fresh viewpoint and make a positive difference by the exchange of ideas during the troubled times of this pandemic. What other enterprise but science can unite so many diverse cultures and nationalities in global uncertainty and discord, and mobilize an effective response against a common enemy. The efforts of science are in stark contrast to those of populism that has introduced division and a self-serving attitude that are not simply ill-matched to tackle the pandemic, but foster its spread and severity. We trust that the readers of European Journal of Pharmacology will discover new ideas and concepts in our special COVID-19 series as members of the scientific community and shared world.

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Update on therapeutic approaches and emerging therapies for SARS-CoV-2 virus

Cited by 58 publications

References 140 publications

Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19

Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19

Coronavirus (COVID-19) Symptoms, Treatment, and Recent Medical Challenges to the World: A Review

Science unites a troubled world: Lessons from the pandemic

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