potential inhibitors
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2022 ◽  
Vol 194 ◽  
pp. 113019
Yingjie Wang ◽  
Gang Chen ◽  
Qingqi Meng ◽  
Xiaohu Yao ◽  
Yang Li ◽  

2022 ◽  
Vol 119 ◽  
pp. 105539
Priyanka Singh ◽  
Krishnananda Samanta ◽  
Ndeye Mathy Kebe ◽  
Grégory Michel ◽  
Baptiste Legrand ◽  

2022 ◽  
Vol 18 (1) ◽  
pp. 104-115
Anurag Chaudhary ◽  
Ritu Tomar ◽  
Syed Mohammed B ◽  
Mohd. Imran ◽  
Saleh I. Alaqel ◽  

Plant Disease ◽  
2022 ◽  
Madalyn Shires ◽  
Alice Wright ◽  
Scott Harper

Little cherry virus-2 (LChV-2) is a viral pathogen that is reaching epidemic levels in Washington state. This virus is insect-vectored and has significant impacts on sweet cherry production. To aid growers in making informed management decisions we sought to develop a diagnostic assay to better detect isolates of LChV-2 currently found in Washington, allowing for more accurate estimations of disease occurrence. This study showed that there were two distinct genotypes of LChV-2 present in Washington state. This information was used to develop an up-to-date reverse transcription real-time quantitative polymerase chain reaction (RT-qPCR) assay, which was then optimized, validated, and compared to four previously published assays using a panel of field samples. This comparison demonstrated that the newly developed assay provided greater sensitivity, accurately detecting less than 10 copies per reaction and could detect both LChV-2 genotypes. Finally, we examined the effect of potential inhibitors in various tissue types from cherry, finding that young leaf tissue affected sensitivity of detection less than root tissues.

PLoS ONE ◽  
2022 ◽  
Vol 17 (1) ◽  
pp. e0262482
Katarzyna Papaj ◽  
Patrycja Spychalska ◽  
Patryk Kapica ◽  
André Fischer ◽  
Jakub Nowak ◽  

Based on previous large-scale in silico screening several factor Xa inhibitors were proposed to potentially inhibit SARS-CoV-2 Mpro. In addition to their known anticoagulants activity this potential inhibition could have an additional therapeutic effect on patients with COVID-19 disease. In this study we examined the binding of the Apixaban, Betrixaban and Rivaroxaban to the SARS-CoV-2 Mpro with the use of the MicroScale Thermophoresis technique. Our results indicate that the experimentally measured binding affinity is weak and the therapeutic effect due to the SARS-CoV-2 Mpro inhibition is rather negligible.

M. M. Rahman ◽  
R.B.H. Wills ◽  
Michael C. Bowyer ◽  
John B. Golding ◽  
Timothy Kirkman ◽  

Kayode Adewole ◽  
Adebayo Ishola ◽  
Ige Olaoye

Abstract Background Cancer is responsible for high morbidity and mortality globally. Because the overexpression of histone deacetylases (HDACs) is one of the molecular mechanisms associated with the development and progression of some diseases such as cancer, studies are now considering inhibition of HDAC as a strategy for the treatment of cancer. In this study, a receptor-based in silico screening was exploited to identify potential HDAC inhibitors among the compounds isolated from Cajanus cajan, since reports have earlier confirmed the antiproliferative properties of compounds isolated from this plant. Results Cajanus cajan-derived phytochemicals were docked with selected HDACs, with givinostat as the reference HDAC inhibitor, using AutodockVina and Discovery Studio Visualizer, BIOVIA, 2020. Furthermore, absorption, distribution, metabolism and excretion (ADME) drug-likeness analysis was done using the Swiss online ADME web tool. From the results obtained, 4 compounds; betulinic acid, genistin, orientin and vitexin, were identified as potential inhibitors of the selected HDACs, while only 3 compounds (betulinic acid, genistin and vitexin) passed the filter of drug-likeness. The molecular dynamic result revealed the best level of flexibility on HDAC1 and HDAC3 compared to the wild-type HDACs and moderate flexibility of HDAC7 and HDAC8. Conclusions The results of molecular docking, pharmacokinetics and molecular dynamics revealed that betulinic acid might be a suitable HDAC inhibitor worthy of further investigation in order to be used for regulating conditions associated with overexpression of HDACs. This knowledge can be used to guide experimental investigation on Cajanus cajan-derived compounds as potential HDAC inhibitors.

Molecules ◽  
2022 ◽  
Vol 27 (2) ◽  
pp. 412
Enrique L. Larghi ◽  
Alexandre Bruneau ◽  
Félix Sauvage ◽  
Mouad Alami ◽  
Juliette Vergnaud-Gauduchon ◽  

In the context of our SAR study concerning 6BrCaQ analogues as C-terminal Hsp90 inhibitors, we designed and synthesized a novel series of 3-(heteroaryl)quinolin-2(1H), of types 3, 4, and 5, as a novel class of analogues. A Pd-catalyzed Liebeskind–Srogl cross-coupling was developed as a convenient approach for easy access to complex purine architectures. This series of analogues showed a promising biological effect against MDA-MB231 and PC-3 cancer cell lines. This study led to the identification of the best compounds, 3b (IC50 = 28 µM) and 4e, which induce a significant decrease of CDK-1 client protein and stabilize the levels of Hsp90 and Hsp70 without triggering the HSR response.

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