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  • Open Access

    ARTICLE

    High-Value-Added Utilization of Turpentine: Screening of Anti-Influenza Virus Agents from β-Pinene Derivatives

    Yiwen Li1,#, Hongyan Si1,#, Peng Wang1, Hai Luo1, Minggui Shen2, Xiaoping Rao3, Zhanqian Song2, Shibin Shang2, Zongde Wang1,*, Shengliang Liao1,*

    Journal of Renewable Materials, Vol.12, No.1, pp. 45-56, 2024, DOI:10.32604/jrm.2023.031089

    Abstract Turpentine is a renewable and resourceful forest product. The deep processing and utilization of turpentine, particularly its primary component β-pinene, has garnered widespread attention. This study aimed to synthesize 40 derivatives of β-pinene, including nopinone, 3-cyanopyridines of nopinone, myrtanyl acid, myrtanyl acylthioureas, and myrtanyl amides. We assessed the antiviral activities of these β-pinene derivatives against influenza virus A/Puerto Rico/8/34 (H1N1) using the 3-(4,5-dimetylthiazol-2-yl)-2,5-diphenyltetrazolium bromide method. The β-pinene derivatives were used before and after cellular infection with the influenza virus to evaluate their preventive and therapeutic effects against the H1N1 virus. The results showed that only compound 10o exhibited a preventive… More > Graphic Abstract

    High-Value-Added Utilization of Turpentine: Screening of Anti-Influenza Virus Agents from <i>β</i>-Pinene Derivatives

  • Open Access

    ARTICLE

    High-throughput computational screening and in vitro evaluation identifies 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl) phenyl]-1H-isoindole-1,3(2H)-dione (C3), as a novel EGFR—HER2 dual inhibitor in gastric tumors

    MESFER AL SHAHRANI, REEM GAHTANI, MOHAMMAD ABOHASSAN, MOHAMMAD ALSHAHRANI, YASSER ALRAEY, AYED DERA, MOHAMMAD RAJEH ASIRI, PRASANNA RAJAGOPALAN*

    Oncology Research, Vol.32, No.2, pp. 251-259, 2024, DOI:10.32604/or.2023.043139

    Abstract Gastric cancers are caused primarily due to the activation and amplification of the EGFR or HER2 kinases resulting in cell proliferation, adhesion, angiogenesis, and metastasis. Conventional therapies are ineffective due to the intra-tumoral heterogeneity and concomitant genetic mutations. Hence, dual inhibition strategies are recommended to increase potency and reduce cytotoxicity. In this study, we have conducted computational high-throughput screening of the ChemBridge library followed by in vitro assays and identified novel selective inhibitors that have a dual impediment of EGFR/HER2 kinase activities. Diversity-based High-throughput Virtual Screening (D-HTVS) was used to screen the whole ChemBridge small molecular library against EGFR and… More > Graphic Abstract

    High-throughput computational screening and <i>in vitro</i> evaluation identifies 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl) phenyl]-1H-isoindole-1,3(2H)-dione (C3), as a novel EGFR—HER2 dual inhibitor in gastric tumors

  • Open Access

    ARTICLE

    Ligand Based Virtual Screening of Molecular Compounds in Drug Discovery Using GCAN Fingerprint and Ensemble Machine Learning Algorithm

    R. Ani1,*, O. S. Deepa2, B. R. Manju1

    Computer Systems Science and Engineering, Vol.47, No.3, pp. 3033-3048, 2023, DOI:10.32604/csse.2023.033807

    Abstract The drug development process takes a long time since it requires sorting through a large number of inactive compounds from a large collection of compounds chosen for study and choosing just the most pertinent compounds that can bind to a disease protein. The use of virtual screening in pharmaceutical research is growing in popularity. During the early phases of medication research and development, it is crucial. Chemical compound searches are now more narrowly targeted. Because the databases contain more and more ligands, this method needs to be quick and exact. Neural network fingerprints were created more effectively than the well-known… More >

  • Open Access

    ARTICLE

    Evaluation of Pre-Harvest Sprouting (PHS) Resistance and Screening of High-Quality Varieties from Thirty-Seven Quinoa (Chenopodium quinoa Willd.) Resources in Chengdu Plain

    Xin Pan, Ya Gao, Fang Zeng, Chunmei Zheng, Wenxuan Ge, Yan Wan, Yanxia Sun, Xiaoyong Wu*

    Phyton-International Journal of Experimental Botany, Vol.92, No.10, pp. 2921-2936, 2023, DOI:10.32604/phyton.2023.029853

    Abstract Pre-harvest sprouting (PHS) will have a serious effect both on the yield and quality of quinoa (Chenopodium quinoa Willd.). It is crucial to select and breed quinoa varieties with PHS resistance and excellent agronomic traits for guidance production and utilization of quinoa. A comprehensive evaluation of the PHS resistance and agronomic traits of 37 species of quinoa resources was conducted in Chengdu Plain. The evaluation used various methods, including grain germination rate (GR), grain germination index (GI), total spike germination rate (SR), total grain germination index (SI), grey correlation analysis (GCA), cluster analysis and correlation analysis. Results showed significant differences… More >

  • Open Access

    REVIEW

    Molecular dynamics-driven exploration of peptides targeting SARS-CoV-2, with special attention on ACE2, S protein, Mpro, and PLpro: A review

    MOHAMAD ZULKEFLEE SABRI1, JOANNA BOJARSKA2, FAI-CHU WONG3,4, TSUN-THAI CHAI3,4,*

    BIOCELL, Vol.47, No.8, pp. 1727-1742, 2023, DOI:10.32604/biocell.2023.029272

    Abstract Molecular dynamics (MD) simulation is a computational technique that analyzes the movement of a system of particles over a given period. MD can provide detailed information about the fluctuations and conformational changes of biomolecules at the atomic level over time. In recent years, MD has been widely applied to the discovery of peptides and peptide-like molecules that may serve as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) inhibitors. This review summarizes recent advances in such explorations, focusing on four protein targets: angiotensin-converting enzyme 2 (ACE2), spike protein (S protein), main protease (Mpro), and papain-like protease (PLpro). These four proteins are… More > Graphic Abstract

    Molecular dynamics-driven exploration of peptides targeting SARS-CoV-2, with special attention on ACE2, S protein, M<sup>pro</sup>, and PL<sup>pro</sup>: A review

  • Open Access

    ARTICLE

    Identification of microbial metabolites that accelerate the ubiquitin-dependent degradation of c-Myc

    ZIYU LIU1,2, AKIKO OKANO3,4, EMIKO SANADA1,3,4, YUSHI FUTAMURA3,4, TOSHIHIKO NOGAWA3,5, KOSUKE ISHIKAWA6, KENTARO SEMBA7,8, JIANG LI9, XIAOMENG LI10, HIROYUKI OSADA3,4,11,*, NOBUMOTO WATANABE1,2,4,*

    Oncology Research, Vol.31, No.5, pp. 655-666, 2023, DOI:10.32604/or.2023.030248

    Abstract

    Myc belongs to a family of proto-oncogenes that encode transcription factors. The overexpression of c-Myc causes many types of cancers. Recently, we established a system for screening c-Myc inhibitors and identified antimycin A by screening the RIKEN NPDepo chemical library. The specific mechanism of promoting tumor cell metastasis by high c-Myc expression remains to be explained. In this study, we screened approximately 5,600 microbial extracts using this system and identified a broth prepared from Streptomyces sp. RK19-A0402 strongly inhibits c-Myc transcriptional activity. After purification of the hit broth, we identified compounds closely related to the aglycone of cytovaricin and had… More > Graphic Abstract

    Identification of microbial metabolites that accelerate the ubiquitin-dependent degradation of c-Myc

  • Open Access

    ARTICLE

    Isolation and characterization of β-transducin repeat-containing protein ligands screened using a high-throughput screening system

    XINTONG LIU1,2,3, EMIKO SANADA1,3,4, JIANG LI5, XIAOMENG LI6, HIROYUKI OSADA1,4,7,*, NOBUMOTO WATANABE1,2,3,*

    Oncology Research, Vol.31, No.5, pp. 645-654, 2023, DOI:10.32604/or.2023.030240

    Abstract β-transducin repeat-containing protein (β-TrCP) is an F-box protein subunit of the E3 Skp1-Cullin-F box (SCF) type ubiquitin-ligase complex, and provides the substrate specificity for the ligase. To find potent ligands of β-TrCP useful for the proteolysis targeting chimera (PROTAC) system using β-TrCP in the future, we developed a high-throughput screening system for small molecule β-TrCP ligands. We screened the chemical library utilizing the system and obtained several hit compounds. The effects of the hit compounds on in vitro ubiquitination activity of SCFβ-TrCP1 and on downstream signaling pathways were examined. Hit compounds NPD5943, NPL62020-01, and NPL42040-01 inhibited the TNFα-induced degradation of… More > Graphic Abstract

    Isolation and characterization of β-transducin repeat-containing protein ligands screened using a high-throughput screening system

  • Open Access

    ARTICLE

    Thalassemia Screening by Sentiment Analysis on Social Media Platform Twitter

    Wadhah Mohammed M. Aqlan1, Ghassan Ahmed Ali2,*, Khairan Rajab2, Adel Rajab2, Asadullah Shaikh2, Fekry Olayah2, Shehab Abdulhabib Saeed Alzaeemi3,*, Kim Gaik Tay3, Mohd Adib Omar1, Ernest Mangantig4

    CMC-Computers, Materials & Continua, Vol.76, No.1, pp. 665-686, 2023, DOI:10.32604/cmc.2023.039228

    Abstract Thalassemia syndrome is a genetic blood disorder induced by the reduction of normal hemoglobin production, resulting in a drop in the size of red blood cells. In severe forms, it can lead to death. This genetic disorder has posed a major burden on public health wherein patients with severe thalassemia need periodic therapy of iron chelation and blood transfusion for survival. Therefore, controlling thalassemia is extremely important and is made by promoting screening to the general population, particularly among thalassemia carriers. Today Twitter is one of the most influential social media platforms for sharing opinions and discussing different topics like… More >

  • Open Access

    ARTICLE

    Automated Leukemia Screening and Sub-types Classification Using Deep Learning

    Chaudhary Hassan Abbas Gondal1,*, Muhammad Irfan2, Sarmad Shafique3, Muhammad Salman Bashir4, Mansoor Ahmed1, Osama M.Alshehri5, Hassan H. Almasoudi5, Samar M. Alqhtani6, Mohammed M. Jalal7, Malik A. Altayar7, Khalaf F. Alsharif8

    Computer Systems Science and Engineering, Vol.46, No.3, pp. 3541-3558, 2023, DOI:10.32604/csse.2023.036476

    Abstract Leukemia is a kind of blood cancer that damages the cells in the blood and bone marrow of the human body. It produces cancerous blood cells that disturb the human’s immune system and significantly affect bone marrow’s production ability to effectively create different types of blood cells like red blood cells (RBCs) and white blood cells (WBC), and platelets. Leukemia can be diagnosed manually by taking a complete blood count test of the patient’s blood, from which medical professionals can investigate the signs of leukemia cells. Furthermore, two other methods, microscopic inspection of blood smears and bone marrow aspiration, are… More >

  • Open Access

    ARTICLE

    Hybrid Energy Systems and the Logic of Their Service-Dominant Implementation: Screening the Pathway to Improve Results

    Halyna Bielokha1, Leonora Chupryna2, Sergey Denisyuk1, Tatiana Eutukhova3, Oleksandr Novoseltsev2,*

    Energy Engineering, Vol.120, No.6, pp. 1307-1323, 2023, DOI:10.32604/ee.2023.025863

    Abstract The transition of the global economy to a low-carbon development path has led to dramatic changes in the organization and functioning of energy markets around the world, where hybrid energy systems (HESs) are one of the decisive active agents. At the same time, a number of problems facing the modern HESs are primarily due to the stochastic nature of the renewable energy they use, require further profound changes not only in the technologies they use and how they manage them, necessary to meet the needs of end consumers and interact with the unified energy system, but also to preserve the… More >

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