Combinatorial Chemistry & High Throughput Screening - Volume 25, Issue 4, 2022

Background: Rheumatoid arthritis (RA) is a chronic autoimmune disease, which affects the joints and causes significant pain, impairing patient's quality of life. Strychni semen showed promising results to treat RA. However, there are increasing safety concerns in using strychni semen due to its severe toxicity. Aim and Objective: The purpose of this review is to provide insight into using Strychni semen as an alternative medicin Read More

Background: Curcumin, a hydrophobic polyphenolic compound present in Curcuma longa Linn. (Turmeric), has been used to improve various neurodegenerative conditions, including Amyotrophic lateral sclerosis, multiple sclerosis, Parkinson's disease, Prion disease, stroke, anxiety, depression, and ageing. However, the Blood-Brain Barrier (BBB) impedes the delivery of curcumin to the brain, limiting its therapeutic p Read More

Background: Berberine (BBR), an alkaloidal compound found in many plants, is widely used for hundreds of years in the traditional system of Chinese medicine. Objective/Aim: The present review is aimed to summarize the potential of Berberine in the amelioration of various neurological disorders. Methods: The collection of data for the compilation of this review work was searched in PubMed Scopus, Google Scholar, and Read More

Background: Drug development requires a lot of money and time, and the outcome of the challenge is unknown. So, there is an urgent need for researchers to find a new approach that can reduce costs. Therefore, the identification of drug-target interactions (DTIs) has been a critical step in the early stages of drug discovery. These computational methods aim to narrow the search space for novel DTIs and to elucidate the fu Read More

Introduction: Drug repositioning aims to screen drugs and therapeutic goals from approved drugs and abandoned compounds that have been identified as safe. This trend is changing the landscape of drug development and creating a model of drug repositioning for new drug development. In the recent decade, machine learning methods have been applied to predict the binding affinity of compound proteins, while deep lear Read More

Background: Molecular logic gate always makes use of fluorescent dyes to realize fluorescence signals. The labeling of the fluorophore is relatively expensive, resulting in low yield, and singly labeled impurities affect the affinity between the target and the aptamer. Label-free fluorescent aptamer biosensor strategy has attracted widespread interest due to lower cost and simplicity. Objective: Herein, we have designed an Read More

Aim: This study aims to develop and establish a computational model that can identify potent molecules for p21-activating kinase 1 (PAK1) Background: PAK1 is a well-established drug target that has been explored for various therapeutic interventions. Control of this protein requires an indispensable inhibitor to curb the structural changes and subsequent activation of signalling effectors responsible for the progression of Read More

Background: Interleukin-12 receptor (IL12R) is a type I cytokine receptor that can promote hematopoiesis and regulate innate and adaptive immunity. It binds with the IL12 ligand, which activates the IL-12 signaling pathway that triggers hematopoietic progenitor cell proliferation and differentiation process. The structure of IL12:IL12R complex is not known. Objective: The present work describes a de novo computation Read More

Background: Hepatitis C virus (HCV) is an enveloped and positive-stranded RNA virus that is a major causative agent of chronic liver diseases worldwide. HCV has become the main cause of liver transplantations and there is no effective drug for all hepatitis genotypes. Elucidation of the life cycle and non-structural proteins of HCV, involved in viral replication, are attractive targets for the development of antiviral drugs.. Meth Read More

Objective: Hepatitis C Virus (HCV) is very dreadful as it can attack an estimated 71 million people around the world. The World Health Organization (WHO) reported that every year about 399000 people die due to HCV caused by chronic cirrhosis and liver cancer globally. There are many drugs available for the treatment of HCV. But drug resistance and toxicity are major issues. The quest for potential drugs utilizing repositioning Read More

Background: In this study, Near-field electrospinning (NFES) technique is used with a cylindrical collector to fabricate a large area permanent piezoelectric micro and nanofibers by a prepared solution. NFES requires a small electric field to fabricate fibers Objective: The objective of this paper to investigate silver nanoparticle (Ag-NP)/ Polyvinylidene fluoride (PVDF) composite as the best piezoelectric material with improve Read More

Background: Alzheimer’s disease is a destructive nervous system disease which causes structural, biochemical and electrical abnormalities inside the human brain and results due to genetic and various environmental factors. Traditional therapeutic agents of Alzheimer’s disease such as tacrine and physostigmine have been found to cause adverse effects to the nervous system and gastrointestinal tract. Nanomaterials lik Read More

Background: The recent Zika Virus (ZIKV) outbreak provides a spur for new, efficient, and safe anti-Zika Virus agents. RNA-dependent RNA polymerase (RdRp) is critical amongst the seven non-structural proteins for viral replication and considered an attractive drug target. Methods: In this study, molecular docking approach was used to rationally screen the library of 5000 phytochemicals to find inhibitors against NS5 R Read More

Background: Metabolic syndrome is closely related to cardiovascular disease, and the prevalence of metabolic syndrome in postmenopausal women is increasing rapidly. Objective: The purpose of this study is to investigate the association between the number of breastfed children and the risk factors for metabolic syndrome in postmenopausal women and to evaluate the association between metabolic syndrome and bone Read More