In silico analysis of selected alkaloids against main protease (Mpro) of SARS-CoV-2.
TLDR
Twenty potential alkaloid molecules that possess antiviral activity against different viral diseases have been taken into consideration and scrutinized using Lipinski's rule and two alkaloids namely thalimonine and sophaline D showed potential activity to inhibit the Mpro but to confirm the claim further in-vitro studies are required.About:
This article is published in Chemico-Biological Interactions.The article was published on 2020-12-01 and is currently open access. It has received 38 citations till now.read more
Citations
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[Coronavirus disease 2019 : More safety through compact facts and recommendantions for action]
TL;DR: Das Thema „coronavirus disease 2019“ (COVID-19)mussnichtmehreingeführt werden, wie es sich wahrscheinlich niemand – weder innerhalb noch außerhalb der Medizin – je hätte vorstellen können, benötigen wir viel Zeit.
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Myricetin Inhibits SARS-CoV-2 Viral Replication by Targeting Mpro and Ameliorates Pulmonary Inflammation.
Ting Xiao,Mengqi Cui,Caijuan Zheng,Ming Wang,Ronghao Sun,Dandi Gao,Jiali Bao,Shanfa Ren,Bo Yang,Jianping Lin,Xiaoping Li,Dongmei Li,Cheng Yang,Honggang Zhou +13 more
TL;DR: Wang et al. as mentioned in this paper reported the discovery of SARS-CoV-2 M(pro) inhibitors, including 15 natural compounds, including 7 flavonoids, 3 coumarins, 2 terpenoids, one henolic, one aldehyde and one steroid compound for molecular docking and enzymatic screening.
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An overview of potential inhibitors targeting non-structural proteins 3 (PL pro and Mac1) and 5 (3CL pro /M pro ) of SARS-CoV-2.
Fangfang Yan,Feng Gao +1 more
TL;DR: In this paper, the authors provide comprehensive updates of nsp3 and nsp5 inhibitor development and would help advance the discovery of novel anti-viral therapeutics against SARS-CoV-2.
Journal ArticleDOI
In Silico Evaluation of Iranian Medicinal Plant Phytoconstituents as Inhibitors against Main Protease and the Receptor-Binding Domain of SARS-CoV-2.
Seyyed Sasan Mousavi,Akbar Karami,Tahereh Movahhed Haghighi,Sefren Geiner Tumilaar,Fatimawali,Rinaldi Idroes,Shafi Mahmud,Ismail Celik,Duygu Ağagündüz,Trina Ekawati Tallei,Talha Bin Emran,Raffaele Capasso +11 more
TL;DR: In this paper, the authors determined whether components of natural origin from Iranian medicinal plants have an antiviral effect that can prevent humans from this coronavirus infection using the most reliable molecular docking method; in their case, they focused on the main protease and a receptor-binding domain (RBD).
Journal ArticleDOI
Inhibition of the main protease of SARS-CoV-2 (Mpro) by repurposing/designing drug-like substances and utilizing nature’s toolbox of bioactive compounds
TL;DR: The main protease (Mpro) of the virus is an appealing target for the development of inhibitors, due to its importance in the viral life cycle and its high conservation among different coronaviruses as mentioned in this paper .
References
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SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
TL;DR: The new SwissADME web tool is presented that gives free access to a pool of fast yet robust predictive models for physicochemical properties, pharmacokinetics, drug-likeness and medicinal chemistry friendliness, among which in-house proficient methods such as the BOILED-Egg, iLOGP and Bioavailability Radar are presented.
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Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
Linlin Zhang,Daizong Lin,Xinyuanyuan Sun,Ute Curth,Christian Drosten,Lucie Sauerhering,Stephan Becker,Katharina Rox,Rolf Hilgenfeld +8 more
TL;DR: The pharmacokinetic characterization of the optimized inhibitor reveals a pronounced lung tropism and suitability for administration by the inhalative route and work that may provide a basis for development of anticoronaviral drugs.
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Preliminary estimation of the basic reproduction number of novel coronavirus (2019-nCoV) in China, from 2019 to 2020: A data-driven analysis in the early phase of the outbreak.
Shi Zhao,Qianying Lin,Jinjun Ran,Salihu S. Musa,Guangpu Yang,Weiming Wang,Yijun Lou,Daozhou Gao,Lin Yang,Daihai He,Maggie Haitian Wang +10 more
TL;DR: The early outbreak data largely follows the exponential growth and indicates the potential of 2019-nCoV to cause outbreaks, as well as the impact of the variations in disease reporting rate, modelled through theonential growth.
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Pneumonia of unknown aetiology in Wuhan, China: potential for international spread via commercial air travel.
Isaac I. Bogoch,Isaac I. Bogoch,Alexander Watts,Andrea Thomas-Bachli,Carmen Huber,Moritz U. G. Kraemer,Moritz U. G. Kraemer,Kamran Khan,Kamran Khan +8 more
TL;DR: The potential for international dissemination of this disease via commercial air travel should the outbreak of pneumonia of unknown aetiology in Wuhan, China continue is evaluated.