Category: 55981-09-4

Yang, Shilun published the artcileDiscovery of Cobimetinib as a novel A-FABP inhibitor using machine learning and molecular docking-based virtual screening, COA of Formula: C12H9N3O5S, the main research area is cobimetinib antimetabolic agent FABP4 drug target metabolic disease.

Adipocyte fatty acid-binding protein (A-FABP, also called FABP4, aP2) is an adipokine identified as a critical regulator of metabolic function due to its dual functions of fatty acid transport and pro-inflammation. Because of the high therapeutic potential of A-FABP inhibition for the treatment of metabolic diseases and related vascular complications, numerous inhibitors have been developed against A-FABP. However, none of these inhibitors have been approved for use in patients due to severe side effects. Here, we used a virtual screening (VS) strategy to identify potential inhibitors of A-FABP in the latest FDA-approved drug library (�600 compounds), aiming to explore the existing drugs with proven safety profiles. We firstly combined ligand-based machine learning and structure-based mol. docking to develop a screening pipeline for identifying A-FABP inhibitors. The screening of FDA-approved drugs identified four compounds (Cobimetinib, Larotrectinib, Pantoprazole, and Vildagliptin) with the highest scores, whose inhibitory effects on A-FABP were further assessed in cellular assays. Among the selected compounds, Cobimetinib significantly inhibited the activation of the JNK/c-Jun signaling pathway by A-FABP in mouse macrophages without causing obvious cytotoxicity. In summary, we present an integrated VS pipeline for A-FABP inhibitor screening, and identified Cobimetinib as a novel A-FABP inhibitor that may be repurposed for the treatment of metabolic diseases and associated vascular complications.

RSC Advances published new progress about Antimetabolites. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, COA of Formula: C12H9N3O5S.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Russo, Barbara published the artcileInterventions for healthcare professionals taking care of COVID-19 patients (beyond vaccines). A systematic review, Computed Properties of 55981-09-4, the main research area is intervention healthcare COVID 19 patient.

Since the first declared case of novel coronavirus disease 2019 (COVID-19) infection, more than 8 millions of individuals as of June 20, 2020, have been infected worldwide, with about 454.000 reported deaths. This disease is caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), similar to severe acute respiratory syndrome coronavirus (SARS-CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV). Currently, no vaccine or proven effective prophylactic treatment is available. Despite the measures to prevent contamination, many cases of infections and deaths have been observed among the healthcare professionals (HCPs). Furthermore, the high number of severe patients to manage, the increased workload, the shortage or inadequacy of personal protective equipment (PPE), are possible source of phys. and psychol. stress. All these factors may contribute to the shortage of personnel working in healthcare facilities, with potential detrimental impact on health system. It becomes, therefore, crucial to identify interventions to support and protect HCPs. A summary of preventative or therapeutic interventions specifically designed for healthcare workers facing with COVID-19 pandemic, could help to drive future research in the field.

Coronavirus Free Access Collection published new progress about Chinese medicine. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Computed Properties of 55981-09-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mosayebnia, Mona published the artcileIn silico prediction of SARS-CoV-2 main protease and polymerase inhibitors: 3D-Pharmacophore modelling, Application In Synthesis of 55981-09-4, the main research area is tegobuvir SARS CoV2 protease polymerase inhibitor pharmacophore modeling; RdRp; SARS-CoV-2; docking study; pharmacophore modelling; protease 3Clpro.

The outbreak of the second severe acute respiratory syndrome coronavirus (SARS-CoV-2) known as COVID-19 has caused global concern. No effective vaccine or treatment to control the virus has been approved yet. Social distancing and precautionary protocols are still the only way to prevent person-to-person transmission. We hope to identify anti-COVID-19 activity of the existing drugs to overcome this pandemic as soon as possible. The present study used HEX and AutoDock Vina softwares to predict the affinity of about 100 medicinal structures toward the active site of 3-chymotrypsin-like protease (3Clpro) and RNA-dependent RNA polymerase (RdRp), sep. Afterwards, MOE software and the pharmacophore-derived query methodol. were employed to determine the pharmacophore model of their inhibitors. Tegobuvir () and compound showed the best binding affinity toward RdRp and 3Clpro of SARS-CoV-2 in silico, resp. Tegobuvir -previously applied for hepatitis C virus- formed highly stable complex with uncommon binding pocket of RdRp (E total: -707.91 Kcal/mol) in silico. In addition to compound, tipranavir () and atazanavir () as FDA-approved HIV protease inhibitors were tightly interacted with the active site of SARS-CoV-2 main protease as well. Based on pharmacophore modeling, a good structural pattern for potent candidates against SARS-CoV-2 main enzymes is suggested. Re-tasking or taking inspiration from the structures of tegobuvir and tipranavir can be a proper approach toward coping with the COVID-19 in the shortest possible time and at the lowest cost.

Journal of Biomolecular Structure and Dynamics published new progress about Computer program. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Application In Synthesis of 55981-09-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Rocco, Patricia R. M. published the artcileEarly use of nitazoxanide in mild COVID-19 disease: randomised, placebo-controlled trial, Synthetic Route of 55981-09-4, the main research area is covid19 pandemic nitazoxanide.

Background: Nitazoxanide is widely available and exerts broad-spectrum antiviral activity in vitro. However, there is no evidence of its impact on severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. Methods: In a multicentre, randomised, double-blind, placebo-controlled trial, adult patients presenting up to 3 days after onset of coronavirus disease 2019 (COVID-19) symptoms (dry cough, fever and/or fatigue) were enrolled. After confirmation of SARS-CoV-2 infection using reverse transcriptase PCR on a nasopharyngeal swab, patients were randomised 1:1 to receive either nitazoxanide (500 mg) or placebo, three times daily, for 5 days. The primary outcome was complete resolution of symptoms. Secondary outcomes were viral load, laboratory tests, serum biomarkers of inflammation and hospitalisation rate. Adverse events were also assessed. Results: From June 8 to August 20, 2020, 1575 patients were screened. Of these, 392 (198 placebo, 194 nitazoxanide) were analyzed. Median (interquartile range) time from symptom onset to first dose of study drug was 5 (4-5) days. At the 5-day study visit, symptom resolution did not differ between the nitazoxanide and placebo arms. Swabs collected were neg. for SARS-CoV-2 in 29.9% of patients in the nitazoxanide arm vs. 18.2% in the placebo arm (p = 0.009). Viral load was reduced after nitazoxanide compared to placebo (p = 0.006). The percentage viral load reduction from onset to end of therapy was higher with nitazoxanide (55%) than placebo (45%) (p = 0.013). Other secondary outcomes were not significantly different. No serious adverse events were observed Conclusions: In patients with mild COVID-19, symptom resolution did not differ between nitazoxanide and placebo groups after 5 days of therapy. However, early nitazoxanide therapy was safe and reduced viral load significantly.

European Respiratory Journal published new progress about Antiviral agents. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Synthetic Route of 55981-09-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Apaydin, Cagla Begum published the artcileSmall-molecule Antiviral Agents in Ongoing Clinical Trials for COVID-19, HPLC of Formula: 55981-09-4, the main research area is review coronavirus disease antiviral agent clin trial; COVID-19; SARS-CoV-2; antiviral therapy; clinical trial; mechanism of action.; preclinical study.

The coronavirus disease 2019 (COVID-19) pandemic, due to the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), emerged in Dec. 2019 and has rapidly spread globally. As the confirmed number of cases has reached 83 million worldwide, the potential severity and the deadly complications of the disease requires urgent development of effective drugs for prevention and treatment. No proven effective treatment for this virus currently exists. Most of the antiviral discovery efforts are focused on the repurposing of approved or clin. stage drugs. This review highlights the small-mol. repurposed antiviral agents that are currently under investigation in clin. trials for COVID-19. These include viral polymerase and protease inhibitors remdesivir, galidesivir, favipiravir, ribavirin, sofosbuvir, tenofovir/emtricitabine, baloxavir marboxil, EIDD-2801, lopinavir/ritonavir; virus-/host-directed viral entry and fusion inhibitors arbidol chloroquine/hydroxychloroquine, chlorpromazine, camostat mesylate, nafamostat mesylate, bromhexine and agents with diverse/unclear mechanism of actions as oseltamivir, triazavirin, ivermectin, nitazoxanide, niclosamide and BLD-2660. The published preclin. and clin. data to date on these drugs as well as the mechanisms of action are reviewed.

Current Drug Targets published new progress about Antiviral agents. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, HPLC of Formula: 55981-09-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Khatri, Manisha published the artcileNitazoxanide/Camostat combination for coronavirus disease 2019 (COVID-19): an unexplored potential therapy, Recommanded Product: 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, the main research area is coronavirus disease 2019 nitazoxanide camostat.

Novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) lies behind the ongoing outbreak of coronavirus disease 2019 (COVID-19) and its ripple effects has brought major challenges to worldwide health systems. Urgent strategies are required to manage this pandemic and repurposing of existing drugs offer an option forward. A combination drug therapy for COVID-19 aims to prevent both the virus entry/spread as well as quelling the immune system havocs that the virus wreaks in the human body. This article analyzes Nitazoxanide/Camostat combination for their potential activity against SARS-CoV-2. Nitazoxanide, FDA approved drug potentiates host antiviral response, thereby reducing viral replication, titer and ensuing immune dysregulation. Camostat, a potent serine protease inhibitor locks viral cell entry along with the potential to decrease COVID-19-associated hypercoagulability. Both the drugs do not inhibit CYP 450 enzymes and could be co-administered. Based on the combined pathophysiol. and pharmacol. potential, the drugs combination can prospectively be recommended for early evaluation with possible clin. trials of this combination.

Chemical Biology Letters published new progress about Antiviral agents. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Recommanded Product: 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Elalfy, Hatem published the artcileEffect of a combination of nitazoxanide, ribavirin, and ivermectin plus zinc supplement (MANS.NRIZ study) on the clearance of mild COVID-19, Application of 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, the main research area is nitazoxanide ribavirin ivermectin zinc supplement antiviral COVID19; COVID-19; antiviral; mild cases.

This trial compared the rate and time of viral clearance in subjects receiving a combination of nitazoxanide, ribavirin, and ivermectin plus Zinc vs. those receiving supportive treatment. This non-randomized controlled trial included 62 patients on the triple combination treatment vs. 51 age- and sex-matched patients on routine supportive treatment. all of them confirmed cases by pos. reverse-transcription polymerase chain reaction of a nasopharyngeal swab. Trial results showed that the clearance rates were 0% and 58.1% on the 7th day and 13.7% and 73.1% on the 15th day in the supportive treatment and combined antiviral groups, resp. The cumulative clearance rates on the 15th day are 13.7% and 88.7% in the supportive treatment and combined antiviral groups, resp. This trial concluded by stating that the combined use of nitazoxanide, ribavirin, and ivermectin plus zinc supplement effectively cleared the SARS-COV2 from the nasopharynx in a shorter time than symptomatic therapy.

Journal of Medical Virology published new progress about Antiviral agents. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Application of 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Bobrowski, Tesia published the artcileSynergistic and Antagonistic Drug Combinations against SARS-CoV-2, Safety of 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, the main research area is synergistic antagonistic drug combination SARS CoV 2; COVID-19; CPE assay; SARS-CoV-2; combination therapy; drug combinations; drug repurposing; drug synergy; in silico design; knowledge mining; nitazoxanide remdesivir combo.

Antiviral drug development for coronavirus disease 2019 (COVID-19) is occurring at an unprecedented pace, yet there are still limited therapeutic options for treating this disease. We hypothesized that combining drugs with independent mechanisms of action could result in synergy against SARS-CoV-2, thus generating better antiviral efficacy. Using in silico approaches, we prioritized 73 combinations of 32 drugs with potential activity against SARS-CoV-2 and then tested them in vitro. Sixteen synergistic and eight antagonistic combinations were identified; among 16 synergistic cases, combinations of the US Food and Drug Administration (FDA)-approved drug nitazoxanide with remdesivir, amodiaquine, or umifenovir were most notable, all exhibiting significant synergy against SARS-CoV-2 in a cell model. However, the combination of remdesivir and lysosomotropic drugs, such as hydroxychloroquine, demonstrated strong antagonism. Overall, these results highlight the utility of drug repurposing and preclin. testing of drug combinations for discovering potential therapies to treat COVID-19.

Molecular Therapy published new progress about Antiviral agents. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Safety of 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kern, Charlotte published the artcileModeling of SARS-CoV-2 treatment effects for informed drug repurposing, Synthetic Route of 55981-09-4, the main research area is disease modeling SARSCoV2 treatment drug repurposing COVID19 pharmacometric; COVID-19; disease modeling; drug repurposing; pharmacometrics; viral kinetics.

Several repurposed drugs are currently under investigation in the fight against coronavirus disease 2019 (COVID-19). Candidates are often selected solely by their effective concentrations in vitro, an approach that has largely not lived up to expectations in COVID-19. Cell lines used in in vitro experiments are not necessarily representative of lung tissue. Yet, even if the proposed mode of action is indeed true, viral dynamics in vivo, host response, and concentration-time profiles must also be considered. Here we address the latter issue and describe a model of human SARS-CoV-2 viral kinetics with acquired immune response to investigate the dynamic impact of timing and dosing regimens of hydroxychloroquine, lopinavir/ritonavir, ivermectin, artemisinin, and nitazoxanide. We observed greatest benefits when treatments were given immediately at the time of diagnosis. Even interventions with minor antiviral effect may reduce host exposure if timed correctly. Ivermectin seems to be at least partially effective: given on positivity, peak viral load dropped by 0.3-0.6 log units and exposure by 8.8-22.3%. The other drugs had little to no appreciable effect. Given how well previous clin. trial results for hydroxychloroquine and lopinavir/ritonavir are explained by the models presented here, similar strategies should be considered in future drug candidate prioritization efforts.

Frontiers in Pharmacology published new progress about Antiviral agents. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Synthetic Route of 55981-09-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ajima, Ukpe published the artcileA review of the structure-activity relationships (SAR) of selected drugs with potential to be repurposed against SARS-COV-2, Formula: C12H9N3O5S, the main research area is review SARSCoV2 antiviral drug repurposing structure activity relationship.

Background: The pandemic caused by the novel SARS-CoV-2 virus has escalated rapidly and impacted human health worldwide, in addition to causing severe disruptions to socioeconomic life. There is presently no effective treatment for the disease and this underscores the urgent need for new therapeutic options against this life threatening disease. The traditional strategy for the development of new drugs is a slow and expensive process. Drug repurposing is a valuable alternative strategy that can be used to bypass some of the limitations of traditional drug discovery in order to rapidly develop new therapeutic agents for the management of Covid-19. Objectives: The present review x-rays recent efforts to re-purpose some antiviral drugs for the treatment of SARS-Cov-2 with an emphasis on the structure activity relationships (SAR) of the compounds Methods: A systematic internet search of three academic databases of published literature was undertaken using relevant keywords and search terms which focused on drug re-purposing against SARS-CoV-2. Results: A total of 853 results were generated and evaluated. The results of the search were screened and relevant articles identified, yielding a total of 83 articles. Some of the drugs identified with potential for re-purposing against SARS-CoV-2 include: Arbidol, Favipiravir, Ribavirin, Nitazoxanide etc. Conclusion: It is hoped that the information generated in this review will help deepen understanding of the potential mechanism of anti-SARS-CoV-2 action of the compounds and also draw attention to opportunities that exist for structural modification of these mols. with the aim of improving and enhancing their selectivity and efficacy against SARS-CoV-2.

Asian Journal of Pharmacy and Pharmacology published new progress about Antiviral agents. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Formula: C12H9N3O5S.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics