Combinatorial Chemistry & High Throughput Screening - Volume 25, Issue 1, 2022

Background and Objective: DNA-binding proteins play important roles in a variety of biological processes, such as gene transcription and regulation, DNA replication and repair, DNA recombination and packaging, and the formation of chromatin and ribosomes. Therefore, it is urgent to develop a computational method to improve the recognition efficiency of DNA-binding proteins. Methods: We proposed a novel method, DBP-PSSM Read More

Aim and Objective: Despite the prevalence and burden of major depressive disorder (MDD), our current understanding of the pathophysiology is still incomplete. Therefore, this paper aims to explore genes and evaluate their diagnostic ability in the pathogenesis of MDD. Methods: Firstly, the expression profiles of mRNA and microRNA were downloaded from the gene expression database and analyzed by the GEO2R online to Read More

Background: Sepsis is a life-threatening disease caused by the dysregulated host response to the infection and the major cause of death of patients in the intensive care unit (ICU). Objective: Early diagnosis of sepsis could significantly reduce in-hospital mortality. Though generated from infection, the development of sepsis follows its own psychological process and disciplines, alters with gender, health status and other factors. Hen Read More

Aim and Objective: Lung cancer is the most commonly occurring cancer, which contributes to the majority of death caused by cancer, where non-small-cell lung cancer (NSCLC) accounts for approximately 85% of lung cancer. To treat NSCLC, STAT3 has been identified as a target with therapeutic potential. The neobavaisoflavone (NBIF) is one of the flavonoids of traditional Chinese medicine Psoralea corylifolial. Materia Read More

Aim and Objective: Missense mutation (MM) may lead to various human diseases by disabling proteins. Accurate prediction of MM is important and challenging for both protein function annotation and drug design. Although several computational methods yielded acceptable success rates, there is still room for further enhancing the prediction performance of MM. Materials and Methods: In the present study, we designed a new fe Read More

Background: Osteoarthritis (OA) is a kind of chronic disease relating to joints, which seriously affectsthe daily life activities of the elderly and can also lead to disability. However, the pathogenesis of OA is still unclear, which leads to limited treatment and the therapeutic effect far from people's expectations. This study aims to filter out key genes in the pathogenesis of OA and explore their potential role in the occurrence and dev Read More

Aim: It has been reported that glial cells are involved in Alzheimer’s disease (AD). In our previous research, Scutellaria barbata flavonoids (SBFs) were found to protect the AD-like rats from neuronal disorder and memory impairment; however, the effect of SBFs on the glial cells disorder in AD-like rats has been less studied. The effects of SBFs on astrocytes (ASs), microglial cells (MGs), and oligodendrocytes (Ols), as well as Read More

Background: The mortality of lung adenocarcinoma (LUAD) is high. Recent studies have found that the degree of immune infiltration and stromal cells in the tumour microenvironment or tumours makes a significant contribution to prognosis. Methods: During the study, we screened differentially expressed genes (DEGs) of the TCGA database for prognostic genes in the LUAD immune microenvironment. Furthermore, Read More

Background: Neonatal sepsis (NS) remains one of the leading causes of mortality among newborns. This study found the deregulated microRNA-96 (miR-96) in NS neonates, and aimed to evaluate the clinical significance of miR-96, as well as its effect on LPS-induced inflammatory response in monocytes. In addition, the relationship of interleukin-16 (IL-16) and miR-96 was investigated to understand the underlying mechanisms. Read More

Aim and Objective: We synthesized eicosapentaenoic acid-enriched phosphatidylcholine (EPA-PC) and investigated its effect on the production of lipopolysaccharide (LPS)- induced cytokines in murine splenocytes. Material and Methods: The culture supernatants of splenocytes, which was exposed to EPA-PC along with LPS, was harvested to determine the production of cytokines [interleukin (IL)-4 , IL-5, IL-6, interferon (IFN) Read More

Background: Mercuric chloride (HgCl2) severely impairs the central nervous system when humans are exposed to it. Aims: We investigated the neuroprotective efficiency of Ziziphus spina-christi leaf extract (ZSCLE) on HgCl2-mediated cortical deficits. Methods: Twenty-eight rats were distributed equally into four groups: the control, ZSCLE-treated (300 mg/kg), HgCl2-treated (0.4 mg/kg), and ZSCLE+HgCl2-treated grou Read More

Background: Neurofibromatosis, also known as Von Recklinghausen disease, is a systemic and progressive genetic disease that primarily affects the skin, eyes, nervous system, and bones. The disease can occur in a variety of ways and can vary in individuals. Metabolomic-based research using blood samples has enabled new diagnostic methods to be used in the diagnosis of various diseases, especially cancer. Among the metab Read More

Background: Stenotrophomonas maltophilia is a multi-drug resistant, gram-negative bacterium that causes opportunistic infections and is associated with high morbidity and mortality in severely immunocompromised individuals. Aim: The study aimed to find out the drug target and a novel inhibitor for Stenotrophomonas maltophilia. Objectives: The current study focused on identifying specific drug targets by subtracti Read More

Background: α-Amylase and α-glucosidase inhibitors are widely used to suppress postprandial glycemia in the treatment of type-2 diabetes. Objectives: To evaluate the metallic content, phytocompounds, and α-amylase and α-glucosidase inhibitory activity of Musa balbisiana rhizome using in-vitro and in-silico methods. Materials and Methods: Heavy metal content was detected by AAS following standard protocol. Majo Read More

Background: Lung cancer has become the prominent cause of the cancer-related deaths globally. More than 80 % of all lung cancers have been diagnosed with Non- Small Cell Lung Cancer (NSCLC). The USFDA approved osimertinib to treat patients with metastatic T790M EGFR NSCLC on a regular basis in March 2017. Recently, C797S mutation to osimertinib has been reported, which indicates the need for structural modific Read More

Aims and Objective: Alzheimer’s disease is now a most prevalent neurodegenerative disease of central nervous system leading to dementia in elderly population. Numerous pathological changes have been associated in the progression of Alzheimer’s disease. One of such pathological hypotheses is declined cholinergic activity which eventually leads to cognitive and memory deficits. Inhibition o f cholinesterases will app Read More

Aim and Objective: The excessive consumption of alcohol and the installation of dependence is, in most cases, facilitated by favorable psychological factors that trigger and maintain the behavior of consumers. Examples more frequently encountered in individuals having difficulty with alcohol are, in particular: one or more anxiety disorders, deficits in the capacities to manage stress and anxiety. The main objective of this work Read More

Background: A newly emergent strain of coronavirus (COVID-19) has affected almost the whole of the world’s population. Currently, there is no specific vaccine or drug against COVID-19. Xu et al. (2020) built a homolog model of SARS-CoV-2 Mpro based on SARS-CoV Mpro, which is considered as a target to inhibit the replication of CoV. Objective: The aim of the current study was to find potential inhibitors of COVID-1 Read More

Background: Pentacyclic triterpenoids are a biologically active class of phytoconstituents with diverse pharmacological activities, including anti-inflammatory action. Objective: In the current study, we isolated 3-Acetylmyricadiol, a pentacyclic triterpenoid, from the ethyl acetate bark extract of Myrica esculenta and evaluated it for anti-inflammatory potential. Methods: The ethyl acetate bark extract of the M. esculenta was su Read More