Journal of Pharmacological Research and Developments (e-ISSN: 2582-0117)

Molecular Docking and Virtual Screening Based Studies of Isolated Phytoconstituents of Canthium parviflorum against Alzheimer’s Disease

2023-11-14T12:28:21+0530

Alzheimer's disease is a progressive neurodegenerative disease; It gradually destroys memories and thoughts. Alzheimer's disease is caused by the accumulation of beta-amyloid plaques around neuronal cells and phosphorylation of the tau protein. The main aim of this study is to use Phytochemicals in the ethanol extract of the Canthium parviflorum plant to conduct research such as molecular docking and virtual assessment to predict the occurrence of activity against Alzheimer's disease. This study selected glycogen synthase kinase 3 and TNF-α converting enzyme as protein targets. The tools used in these studies are ligand and protein editing, and ligand and protein preparation for ligand-protein docking using Pyrx software and Biovia discovery studio software. Ligands were obtained from the PubChem repository, and proteins were obtained from the Protein Repository, a freely available open-source tool. We searched our protein model-based virtual screening library to find new effective drugs to treat Alzheimer's disease. The plant material used as a ligand has a stronger binding ability to the target protein compared to the standard drug Rivastigmine. Binding affinity is expressed in kcal/mol. It was concluded that further clinical studies were conducted on the activity of this plant called Canthium parviflorum in Alzheimer's disease, to create new molecules in future treatments.

The Role of Epigenetic Modifications in Drug Response and Resistance

2023-07-28T12:36:10+0530

The inability of epigenetic modifications to control gene expression has been related to a variety of diseases and conditions, including cancer and neurological ailments, amongst others. In recent years, there has been a rise in the amount of attention in pharmacology that is focused on the role that epigenetic modifications play in the response to medicine and the development of drug resistance. This concise review will attempt to provide a synopsis of what is currently known on the influence that epigenetic changes have on the treatment efficacy and resistance mechanisms of various diseases. DNA methylation, histone modifications, and non-coding RNAs are some of the key epigenetic markers that are covered in this article in relation to their function in the pharmacokinetics and pharmacodynamics of drugs. In addition, we highlight the development of approaches that attempt to enhance treatment outcomes while simultaneously overcoming drug resistance by targeting epigenetic alterations. A fundamental understanding of the connection between epigenetics and pharmacological response is required for the development of individualized treatment plans and the identification of novel therapeutic targets.

Drug Likeness, Admet Prediction, and Molecular Docking of Compounds on Grammatophyllum Scriptum (Lindl.) Bl. as Analgesic

2023-07-07T13:13:32+0530

Grammatophyllum scriptum (Lindl.) Bl., a member of the Orchidaceae genus, is renowned for its distinctive and beautiful flowers, which have garnered attention from enthusiasts. G. scriptum is predominantly found in Papua, particularly in the Parai area of the East Biak District and Biak Numfor Regency. Despite its popularity, research on the pharmaceutical properties of this plant remains limited. Therefore, this study aimed to investigate the potential of G. scriptum as an analgesic, specifically by examining its interaction with COX-1 and COX-2 receptors. In this study, we employed a methodology involving the prediction of drug-likeness, ADMET analysis, and docking simulations of the compound against COX-1 and COX-2 receptors to evaluate their potential as analgesics. Our results revealed that Apigenin-7-O-α-L-rhamnose(1-4)-6-O-acetyl-β-D-glucoside exhibited favourable characteristics as a potential drug molecule. Additionally, all compounds demonstrated appropriate ADMET predictions, indicating their suitability for further investigation. However, based on our molecular docking results, none of the five compounds derived from G. scriptum exhibited strong binding to the COX-1 and COX-2 receptors, suggesting limited potential as analgesics in silico. Nonetheless, Kushenol H, a specific compound, displayed relatively good energy levels and exhibited binding to COX-1 and COX-2 receptors. In conclusion, this study provides insights into the potential pharmaceutical applications of G. scriptum. While the compounds tested in this study may not show strong analgesic potential based on in silico investigations.

From Data to Drugs: Harnessing Machine Learning's Potential for Drug Discovery

2023-08-05T13:36:31+0530

The field of drug discovery has recently seen the emergence of strong tools in the form of machine learning algorithms, which have the potential to transform the entire process of drug development. This study presents a detailed overview of the applications of machine learning in drug development, with a particular emphasis on target identification, drug efficacy prediction, and drug design optimization. This overview sheds light on the most recent developments, problems, and opportunities available in this dynamic and ever-evolving industry. It gives researchers the ability to prioritize and optimize possible medication ideas, which in turn helps them save money and improve their chances of being successful. Further, machine learning has historically been accomplished by a combination of experimental methods and expert knowledge, which can be time-consuming, pricey, and restricted by the level of biological understanding that is currently available. They provide a variety of learning strategies, both supervised and unsupervised, to examine complicated biological data and anticipate possible targets. Even if there are obstacles and constraints, there is significant progress being made in the accessibility of data, its interpretability, and its connection with other fields, which holds a lot of promise for future target identification initiatives. The harnessing of the power of machine learning will surely, in the future, contribute to the acceleration of the discovery of effective treatments as well as the improvement of patient outcomes.

Pharmacological Perspectives of Royal Jelly: An Insight Review

2023-07-28T12:18:05+0530

The hypopharyngeal and mandibular glands of nursing bees secrete a fluid that is known as royal jelly (RJ). This fluid is acidic and has a yellowish-white appearance. This fluid is given to developing worker larvae during the first three days of the life of the queen bee and continues to be given to growing worker larvae for the remainder of the queen bee's life after that. RJ is a prized and revered natural material that has been utilised for centuries in alternative medicine, nutritional supplements, and beauty products all around the globe. As the most studied bee product, researchers have been able to learn more about its bioactivities, such as antibacterial, antioxidant, antiaging, immunomodulatory, and general tonic action, in clinical trials in microbiological organisms, farm animals, and laboratory animals. It is often used in the treatment of many diseases and conditions, including diabetes mellitus, CVD, cancer, Alzheimer's disease, etc. The review focuses on the primary bioactive constituents of RJ, including peptides, fatty acids, phenolics, proteins, etc., to gain a thorough knowledge of biology, biochemistry, and therapeutics for the benefit of life and promoting people's health.