Letters in Drug Design & Discovery - Volume 21, Issue 2, 2024

Background: Although evaluating in vitro biological activity is an important part of the drug discovery process, few publications discuss the ideal inhibitory activity in these tests.Objective: To analyze the in vitro biological activity data from antiviral drugs to establish parameters that could increase success in developing new antiviral drug candidates.Methods: Information from in vitro tests for each antiviral medicine was ob Read More

Natural products have a broad diversity of multidimensional chemical formations, which play an important role, and indicate the crucial nature as a golden source for gaining herbal drug discovery. Thymoquinone performs various functions and impacts anticancer, anti-inflammatory, antioxidant, and anti-diabetic. It shows the significant influence on the treatment of different cancer types, such as bone cancer, bladder cancer, lun Read More

Background: A new series of ten composites with sulphur based carboxylic acid and benzylamine were synthesized by Ugi 4-components reaction (Ugi-4CR) and screened for antituberculosis activity against the Mycobacterium tuberculosis H37Rv strain.Objective: Target compounds were isolated, purified, identified, and characterized by MS, FT-IR, 1HNMR, APT, and 13C-NMR then the antituberculosis activity was examined Read More

Introduction: Macrophage Migration Inhibitory Factor (MIF), a cytokine that signals for inflammatory response, has been implicated in multiple inflammatory disorders, including RA. Inhibition of MIF activity by anti-MIF inhibitors can lead to improved prognosis and increased quality of life. Development of a medically viable MIF inhibitor has been pursued without success, and no inhibitor that binds to MIF active site has bee Read More

Objective: Focal adhesion kinase (FAK) is a cytosolic tyrosine kinase that controls integrin and growth factor signaling pathways. FAK is a promising therapeutic target for cellular adhesion-related disorders, such as cancer.Methods: In this study, in silico techniques like quantitative structure-activity relationship (QSAR), Molecular Docking, and Dynamic Simulation were used to study the interactions between small molecules a Read More

Background: Chronic inflammation is usually combated with non-steroidal anti-inflammatory drugs (NSAIDs). However, long-term use of NSAIDs causes side effects comprising gastric ulceration, abdominal discomfort, lack of anti-thrombolytic activity, and myocardial infarction. Emerging reports indicate alteration of arachidonic acid metabolism, via cyclooxygenase and lipoxygenase pathways, being investigated as potent Read More

Background: The increased emergence of multidrug-resistant bacterial strains is a continuous life-threatening global problem. The best approach to prevent the reproduction and invasion of the pathogenic bacteria is to inhibit the replication stage. The untapped molecular machinery involved in the replication is ParE subunit of topoisomerase IV. In this study, compounds active against the ParE were selected.Objective: This stu Read More

Background: Highly pathogenic bacteria colonize and maintain themselves with the aid of an enzyme called urease. Consequently, inhibiting urease enzymes can be a promising method for preventing ureolytic bacterial infections.Objective: This study aimed at synthesizing and screening a novel series of benzimidazole derivatives..Methods: Nine novel benzimidazole derivatives 10α-rdquo; were synthesized and isolated. Their stru Read More

Aim: This study aimed to evaluate the potential of different hydrophilic polymers to increase Arteether's water solubility.Background: Arteether is classified as a class II biopharmaceutical in the Biopharmaceutical Classification System (BCS), with low water solubility (17 g/mL) and dissolution rate, resulting in poor bioavailability.Objective: The goal of this research is to improve the water solubility of Arteether (ART) by using a s Read More

Background: The present work is an effort to develop novel propofol (PPF) and remifentanil (RFT) co-loaded nanoemulsion (NME) for the treatment of anesthetic effects.Methods: The PPF/RFT NME was prepared via the high-pressure homogenization method. Its physicochemical properties were assessed to ensure good quality and suitability for i.v. administration. We also studied the in vivo pharmacokinetics and pharmacodynam Read More

Background: Existing medications for treating cancer are reported to exhibit severe side effects, therefore, there is an urgent need to address these unprecedented health risks. With the advancements in ethnobotanical studies and research on phytochemicals, information on several medicinal plants is being revisited nowadays. Terminalia arjuna is a widely used medicinal plant in ayurvedic and Unani medicine for curi Read More

Background: Non-viral gene vectors have attracted much attention in the last few decades because of their potential activity and fewer side effects. Headgroup chemistry is a key aspect of lipid design.Methods: In this study, a group of sulfonium lipids were designed and constructed by combining tetrahydrothiophene or tetrahydrothiopyran with an ethoxy linker and carbon aliphatic chains and were evaluated in terms of Read More

Background: Neuroendocrine tumors (NETs) can occur in most human epithelial organs, however, there are few studies on digestive system NETs.Aims: The study aims to analyze Pax5 expression in digestive tract NETs and discuss its diagnostic significance.Methods: This study included 64 cases of NETs diagnosed from 2019 to 2020. Expressions of paired box 5 (Pax5), CD56, synaptophysin (Syn), and chromogranin (CgA) we Read More

Background: The fast development of an effective vaccine is the major demand for protection against the SARS-COV-2 virus outbreak. With the vast volume of data and the requirement for automatic abstract property learning, machine learning (ML) as a branch of artificial intelligence (AI) has a significant contribution in areas of vaccine discovery. The rise of ML has greatly accelerated the often lengthy vaccine approval pr Read More

Background: Human immunodeficiency virus (HIV) infection and acquired immunodeficiency syndrome (AIDS) have resulted in a global health threat. Meanwhile, due to the emergence of drugresistant HIV-1 strains, the discovery of potent compounds for antiretroviral therapy success is highly desirable.Objective: This study aimed to develop anti-HIV-1 candidates which can be effectively applied for the treatment of HIV in Read More