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Molecules, Vol. 28, Pages 2356: Computational Design, Synthesis, and Biophysical Evaluation of & beta;-Amido Boronic Acids as SARS-CoV-2 Mpro Inhibitors
Molecules, Vol. 28, Pages 2356: Computational Design, Synthesis, and Biophysical Evaluation of β-Amido Boronic Acids as SARS-CoV-2 Mpro Inhibitors Molecules doi: 10.3390/molecules28052356 Authors: Enrico M. A. Fassi Marco Manenti Andrea Citarella Michele Dei Cas Sara Casati Nicola Micale Tanja Schirmeister Gabriella Roda Alessandra Silvani Giovanni Grazioso The COVID-19 pandemic has given a strong impetus to the search for antivirals active on SARS-associated coronaviruses. Over these years, numerous vaccines have been developed and many of these are effective and clinically available. Si...
Source: Molecules - March 3, 2023 Category: Chemistry Authors: Enrico M. A. Fassi Marco Manenti Andrea Citarella Michele Dei Cas Sara Casati Nicola Micale Tanja Schirmeister Gabriella Roda Alessandra Silvani Giovanni Grazioso Tags: Article Source Type: research

Molecules, Vol. 28, Pages 2333: Triterpene Derivatives as Potential Inhibitors of the RBD Spike Protein from SARS-CoV-2: An In Silico Approach
orales The appearance of a new coronavirus, SARS-CoV-2, in 2019 kicked off an international public health emergency. Although rapid progress in vaccination has reduced the number of deaths, the development of alternative treatments to overcome the disease is still necessary. It is known that the infection begins with the interaction of the spike glycoprotein (at the virus surface) and the angiotensin-converting enzyme 2 cell receptor (ACE2). Therefore, a straightforward solution for promoting virus inhibition seems to be the search for molecules capable of abolishing such attachment. In this work, we tested 18 triterpe...
Source: Molecules - March 2, 2023 Category: Chemistry Authors: Mayra Avelar Laura Pedraza-Gonz ález Adalgisa Sinicropi Virginia Flores-Morales Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8562: Drugs for COVID-19: An Update
Alessia Catalano The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was the seventh known human coronavirus, and it was identified in Wuhan, Hubei province, China, in 2020. It caused the highly contagious disease called coronavirus disease 2019 (COVID-19), declared a global pandemic by the World Health Organization (WHO) on 11 March 2020. A great number of studies in the search of new therapies and vaccines have been carried out in these three long years, producing a series of successes; however, the need for more effective vaccines, therapies and other solutions is still being pursued. This review rep...
Source: Molecules - December 5, 2022 Category: Chemistry Authors: Jessica Ceramella Domenico Iacopetta Maria Stefania Sinicropi Inmaculada Andreu Annaluisa Mariconda Carmela Saturnino Federica Giuzio Pasquale Longo Stefano Aquaro Alessia Catalano Tags: Review Source Type: research

Molecules, Vol. 27, Pages 8210: Plant Spices as a Source of Antimicrobial Synergic Molecules to Treat Bacterial and Viral Co-Infections
hi The COVID-19 pandemic exposed the lack of antiviral agents available for human use, while the complexity of the physiological changes caused by coronavirus (SARS-CoV-2) imposed the prescription of multidrug pharmacotherapy to treat infected patients. In a significant number of cases, it was necessary to add antibiotics to the prescription to decrease the risk of co-infections, preventing the worsening of the patient’s condition. However, the precautionary use of antibiotics corroborated to increase bacterial resistance. Since the development of vaccines for COVID-19, the pandemic scenario has changed, ...
Source: Molecules - November 25, 2022 Category: Chemistry Authors: Nath ália Barroso Almeida Duarte Jacqueline Aparecida Takahashi Tags: Review Source Type: research

Molecules, Vol. 27, Pages 6934: Potential Therapeutic Approach of Melatonin against Omicron and Some Other Variants of SARS-CoV-2
Yoshikazu Yonei The Omicron variant (B.529) of COVID-19 caused disease outbreaks worldwide because of its contagious and diverse mutations. To reduce these outbreaks, therapeutic drugs and adjuvant vaccines have been applied for the treatment of the disease. However, these drugs have not shown high efficacy in reducing COVID-19 severity, and even antiviral drugs have not shown to be effective. Researchers thus continue to search for an effective adjuvant therapy with a combination of drugs or vaccines to treat COVID-19 disease. We were motivated to consider melatonin as a defensive agent against SARS-CoV-2 because of...
Source: Molecules - October 16, 2022 Category: Chemistry Authors: Rahima Begum A. N. M. Mamun-Or-Rashid Tanzima Tarannum Lucy Md. Kamruzzaman Pramanik Bijon Kumar Sil Nobendu Mukerjee Priti Tagde Masayuki Yagi Yoshikazu Yonei Tags: Review Source Type: research

Molecules, Vol. 27, Pages 5303: Synthesis and In Silico Docking Study towards M-Pro of Novel Heterocyclic Compounds Derived from Pyrazolopyrimidinone as Putative SARS-CoV-2 Inhibitors
s Romdhane In addition to vaccines, antiviral drugs are essential in order to suppress COVID-19. Although some inhibitor candidates have been determined to target the SARS-CoV-2 protein, there is still an urgent need to continue researching novel inhibitors of the SARS-CoV-2 main protease ‘Omicron P132H’, a protein that has recently been discovered. In the present study, in the search for therapeutic alternatives to treat COVID-19 and its recent variants, we conducted a structure-based virtual screening using docking studies for a new series of pyrazolo[3,4-d]pyrimidin-4(5H)-one derivatives ...
Source: Molecules - August 19, 2022 Category: Chemistry Authors: Mabrouk Horchani Niels V. Heise Ren é Csuk Hichem Ben Ben Jannet Abdel Halim Harrath Anis Romdhane Tags: Article Source Type: research

Molecules, Vol. 27, Pages 4739: Solanaceae Family Phytochemicals as Inhibitors of 3C-Like Protease of SARS-CoV-2: An In Silico Analysis
In this study, we have examined the binding energies of several alkaloids and anthocyanin derivatives from the Solanaceae family, a family which contains common consumable vegetables and fruit items such as eggplant, pepper, and tomatoes. Our study demonstrates that Solanaceae family alkaloids such as incanumine and solaradixine, as well as anthocyanins and anthocyanidins, have very high predicted binding energies for the 3C-like protease of SARS-CoV-2 (also known as Mpro). Since Mpro is vital for SARS-CoV-2 replication, the compounds merit potential for further antiviral research towards the objective of obtaining affordable drugs.
Source: Molecules - July 25, 2022 Category: Chemistry Authors: Raisul Awal Mahmood Anamul Hasan Mohammed Rahmatullah Alok K. Paul Rownak Jahan Khoshnur Jannat Tohmina Afroze Bondhon Tooba Mahboob Veeranoot Nissapatorn Maria de Lourdes Pereira Tridib K. Paul Ommay Hany Rumi Christophe Wiart Polrat Wilairatana Tags: Article Source Type: research

Molecules, Vol. 27, Pages 1178: Antiviral Activities of Algal-Based Sulfated Polysaccharides
ovilsa Putra An antiviral agent is urgently needed based on the high probability of the emergence and re-emergence of future viral disease, highlighted by the recent global COVID-19 pandemic. The emergence may be seen in the discovery of the Alpha, Beta, Gamma, Delta, and recently discovered Omicron variants of SARS-CoV-2. The need for strategies besides testing and isolation, social distancing, and vaccine development is clear. One of the strategies includes searching for an antiviral agent that provides effective results without toxicity, which is well-presented by significant results for carrageenan nasal spray in p...
Source: Molecules - February 9, 2022 Category: Chemistry Authors: Jonathan Ardhianto Panggabean Sya ’ban Putra Adiguna Siti Irma Rahmawati Peni Ahmadi Elmi Nurhaidah Zainuddin Asep Bayu Masteria Yunovilsa Putra Tags: Review Source Type: research