Letters in Drug Design & Discovery - Volume 21, Issue 9, 2024

A five-membered heterocyclic compound known as 1,2,4-oxadiazole has one oxygen, two carbon, and two nitrogen atoms within a ring. Numerous studies have shown that 1,2,4-oxadiazole has the potential to be an essential moiety in many harmful pharmacological conditions. 1,2,4-oxadiazole and its derivatives have been used as an antiviral, cough suppressant, vasodilator, anxiolytic, etc. To synthesize a single molecule with p Read More

Biostimulants are one of the most important substancesfor improving productivity, growth and yield of plants as well as heavy metal detoxification, and stimulating natural toxins, controlling pests and diseases and boosting both water and nutrient efficiency. Google Scholar, Science Direct, CAB Direct, Springer Link, Scopus, Web of Science, Taylor and Francis, and Wiley Online Library have been checked. The search was done to Read More

Background: Inflammation is a common and intractable disease for humans. Current antiinflammatory drugs have a lot of side effects, which cause irreversible damage to the body. Objective: We predict the activity of the N-acylethanolamine-hydrolyzing acid amidase (NAAA) inhibitor to find more effective compounds. Methods: we established a quantitative structure-activity relationship (QSAR) model by gene expression pro Read More

Background: Microorganisms can infect wounds and disrupt healing by causing inflammation and tissue injury. Objective: Simvastatin (SIM) is reported to have antibacterial activity; therefore, this research is designed to evaluate the efficacy of simvastatin emulgel in wound healing. Methods: The simvastatin emulgel was assessed for physical appearance, rheological behaviour, spreadability, pH, ex vivo drug release Read More

Introduction: Sudden SARS-CoV-2 pandemic disrupted global public health; hence, searching for more effective treatments is urgently needed. Objective: Recently, a new host protein LRRC15 has been identified, facilitating viral attachment and cellular invasion and hence can be a good target against SARS-CoV-2. In this study, design some potential inhibitors against LRRC15. Methods: Here, we explored three strategies t Read More

Background: Tuberculosis (TB) is an infectious disease caused by Mycobacterium tuberculosis (Mtb). It is one of the leading causes of death of 1.5 million people each year. TB can be treated by directly observed treatment short course (DOTS), but due to multidrug-resistant (MDR) and extensively drug-resistant (XDR) tuberculosis, consequences can be devastating if the single DOTS dose is missed by the patient. MDR a Read More

Background: Psoriasis is recognized as an autoimmune dermatosis, and keratin 6 (KRT 6) is a hallmark of psoriasis. Gallic acid (GA) is a natural and small molecule with a series of biological activities. However, the effect of GA on psoriasis has not been clarified. Aims: This study aimed to investigate the anti-psoriatic activity of GA in psoriasis-like mice and in vitro. Methods: The transcriptions of the Homosapiens KRT6 gene Read More

Background: Lung cancer is the malignancy with the second highest diagnostic rate and the leading cause of cancer-related death. Objective: This study aims to investigate the potential mechanism and molecular targets of Panax notoginseng saponins (PNS) in inhibiting lung cancer through network pharmacology. Methods: Pharmacodynamic targets of each compound of PNS were searched from TargetNet, SwissTargetPredi Read More

Background: Non-small cell lung cancer is one of the most common cancers worldwide, and targeted chemotherapy has become a kind of the main treatment. Gefitinib, the most widely studied targeted agent in non-small cell lung cancer, is an orally active tyrosine kinase inhibitor. However, gefitinib inevitably generates acquired drug resistance, leading to treatment failure. Objective: A new class of compounds con Read More

Background: Breast cancer is the most prevalent malignant tumour in women of all races and is the second largest cause of cancer-related death in the majority of races. Based on the pattern of gene expression, five intrinsic or molecular classifications for breast tumours are frequently used. Our research, which is presently being utilized to treat breast cancer and has the potential to significantly change the course of the illne Read More

Background: Pre-eclampsia (PE) is a pregnancy-related complication that has a global prevalence of 3-5% among pregnant women. Objective: The objective of this study is to examine the molecular mechanism underlying the therapeutic effects of Astragalus membranaceus(AE) in the treatment of PE through the application of network pharmacology and molecular docking. Methods: The databases, including TCMSP, Un Read More