Letters in Drug Design & Discovery - Volume 20, Issue 2, 2023

Novel technology has led to advanced approaches and understandings of viral biology, and the advent in previous years has raised the possibility of determination of mechanisms of viral replication and infection, trans-species adaption, and disease. The outbreak of Coronavirus 2019 (COVID-19) has become a global life-threatening concern recently. The war against COVID19 has now reached the most critical point, whereby it ha Read More

Background: The free carboxylic acid group in the mefenamic acid (MFA) structure plays a potential role in developing various neuromuscular side effects after MFA administration. In this study, the hydroxypropyl promoiety was added to the carboxylic acid group of MFA in an attempt to reduce the neuromuscular side effects of MFA and improve its therapeutic effects. Methods: Hydroxypropylester of MFA (HPEMA) was synthesiz Read More

Background: Cancer is the most prevalent disease seen nowadays. Thymidine phosphorylase (TP) is an angiogenic enzyme that is overexpressed in many solid tumors. Over the years, Thymidine phosphorylase has emerged as a novel target for anticancer drug development as an inhibitor. Objective: To design novel oxadiazole-isatin pharmacophore-containing molecules and explore their structural requirements related to t Read More

Background: Machine learning has become an essential tool for drug research to generate pertinent structural information to design drugs with higher biological activities. Quantitative structureactivity relationship (QSAR) is considered one technique. QSAR study involves two main steps: first is the generation of descriptors, and the second is building and validating the models. Aim: By using a Python program language for buil Read More

Background: The fusion of the secretory signal peptide to the N-terminal of a polypeptide’s amino acid sequence is an attractive technique for the secretory production of heterologous proteins. On the other hand, applying computational analysis may be beneficial in overcoming the barriers of trial-anderror approaches in detecting proper signal sequences. As the scope of this study, the most probable effective properties of 30 Read More

Background: Thymidine Phosphorylase (TP) is an imperative target for cancer researchers. In the current research, quantitative structure-activity relationship (QSAR) models were demonstrated to identify new TP inhibitors. Objective: The main objective is to perform a QSAR study on a series of 19 derivatives of thiobarbituric acid and new molecules designed and dock to check potency and efficacy for anticancer activity. Meth Read More

Background: Polycystic ovarian syndrome (PCOS) is defined by excessive production and/or secretion of androgenic hormones in women. This disease has a complicated nature, so its control is difficult and challenging. Therefore, many women use complementary therapies to support medical treatment, one of which is the consumption of mint plants. Objectives: This study aimed to characterize the chemical compositi Read More

Background: Breast cancer ranks first in women and is the second most common type of cancer overall. It is the most important barrier to the rise of life expectancy, globally affecting disease modalities. Cyclooxygenase-2 (COX-2) has become a prominent hallmark as an inhibition target for breast cancer, and this therapeutic target for anti-inflammatory drugs regulates cell proliferation, angiogenesis, tumor growth and apop Read More

Background: Infections caused by helminth parasites are the main cause of economic losses in the livestock industry worldwide. The rapid resistance acquired by different parasites against commercially available drugs motivates the search, design, and development of new compounds capable of overcoming this situation. Previously, our group reported the novel hybrid valerolactam-fenbendazole (VALFBZ) compound wi Read More

Objective: Rheumatoid Arthritis (RA) is made when the synovial tissues and joints are destroyed by the inflammation refection, especially the chronic inflammation. The RA-FLS was treated with Oxymatrine, and the influence of miR-146a and TRAF6 /JNK pathway was explored. Methods: Oxymatrine -treated RA-FLS were harvested to detect cell viability by CCK-8. The expression of miR-146a was detected by qRT-PCR. The Read More

Objective: Hepatocellular carcinoma (HCC) is a widely occurring cancer ranking second in humans, with an incidence rate of approximately 1.6% per year in India. Experimental analysis of the Boeravinones or the Rotenoids classification of compounds present in the roots of the Boerhaavia diffusa Linn plant has shown a wide range of anti-cancer activity against liver hepatoblastoma. Methods: Boeravinone B (BB) was screen Read More