Letters in Drug Design & Discovery - Volume 21, Issue 14, 2024

Introduction Chagas disease is a neglected disease caused by the protozoan Trypanosoma cruzi that affects 7 million people worldwide. The current treatment is limited due to safety and efficacy issues. Therefore, the search for new antiparasitic drugs is fundamental. The enzyme squalene synthase (SQS) is an attractive therapeutic target since it participates in the ergosterol biosynthesis pathway. Objective In the present st Read More

Background Methylene blue and some of its analogues have known antibacterial activity, however their exact mechanism of action is unknown. Objective In this study, the minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of several methylene blue analogues were determined against five bacterial strains, whereafter the data were used to create and validate a pharmacophore mod Read More

Ursolic acid (UA) is a widely distributed triterpenoid in nature. Due to its easy availability and multiple pharmacological activities, ursolic acid has attracted much attention in the field of medicine and pharmacology. To overcome the disadvantages of bioavailability and poor water solubility during the ursolic acid application, we focused on the synthetic and medicinal properties of UA derivatives modified at C-3 and C-28 site Read More

Pyrazoline are structurally versatile nitrogen-containing heterocycle that has gained more attention owing to its diversified pharmacological activities. This special scaffold serves as a fundamental component in a variety of bioactive chemicals, enabling the creation of new molecules with advantageous biological functions. The present review paper provides a summary of diversified pharmacological activities in particular, Read More

Background Cinnamic acid, derived from Cinnamomum cassia, is a natural compound known for its wide-ranging therapeutic properties and minimal toxicity. Extensive research has demonstrated the diverse biological activities displayed by cinnamic acid derivatives, encompassing their potential as agents against cancer, diabetes, microbial infections, tuberculosis, malaria, and more. Objective This review aims to provide Read More

Background Colorectal cancer is the third foremost cause of death in women and men. Globally, about 1.94 million colon cancer cases were diagnosed and around 0.93 million patients died in the previous year. Introduction Several drugs have been permitted by the Food And Drug Administration (FDA) for the treatment of colorectal cancer. The main difficulties of current drugs are the expansion of resistance issues Read More

In recent decades, the mortality and morbidity of Gastrointestinal (GI) cancer have remarkably increased, especially in younger individuals. Recent studies revealed that neuronal connections play an active part in GI tumor initiation and progression. Also, studies showed neurotransmitters and neuropeptides drive the activation of various oncogenic pathways downstream of neural receptors within cancer cells, underscoring the Read More

Statistical physics (SP) formalism in medicine involves applying concepts and methods to study biological systems and medical problems. It is an interdisciplinary field that combines physics, mathematics, and biology to analyze complex biological processes at molecular, cellular, and tissue levels. The goal of SP in medicine is to gain insights into biological systems' mechanisms and develop new strategies for diagnosing and Read More

Introduction Inflammation is the first response and an alarming signal for the onset of chronic disease. Most of the anti-inflammatory drugs available in the market are reported to have undesirable gastrointestinal toxicities. Therefore, it is of urgent significance to develop anti-inflammatory drugs with low toxicity and good efficacy. Methods We created a targeted scaffold based on a literature review by combini Read More

Background As cancer stands as a significant global health concern, many heterocyclic compounds that are more effective in cancer cells than healthy cells are being investigated for their selective anticancer potentials. One such compound is fenretinide, a synthetic derivative of retinoic acid that has a broad spectrum of cytotoxic activity against primary tumor cells, cell lines, and/or xenografts of various cancers. In this c Read More

Background Baricitinib (BCTB) is a novel Janus Kinase (JAK) 1 and 2 inhibitor used in the therapy of rheumatoid arthritis, approved by the “Food and Drug Administration” in 2018. It has significant dose-dependent effectiveness and severe side effects. Thus, it is crucial to figure out its concentration in developed dosage forms. The literature search revealed that there has only been one UV spectroscopy technique docu Read More

Background People with type 1 diabetes mellitus (T1DM) are significantly more likely to have osteoporosis (OP). Astragali Radix is a Chinese herbal medicine containing various active ingredients, and several clinical trials have been reported to use it to treat OP and T1DM, respectively. Objective To evaluate the targets and potential mechanisms of Astragali Radix administration on OP and T1DM. Methods The targets of Astragali R Read More

Aim This study aimed to investigate the protective effects of phytosomal curcumin and/or shilajit in reducing post-surgical tendon adhesion band formation in a rat model. Background Tendon adhesion is one of the severe complications after tendon surgery which causes limited tendon movement and functional disability. Objective According to the central role of inflammatory reactions in fibrosis and the formation of ten Read More

BackgroundChronic myeloid leukemia (CML) is considered a type of hematopoietic stem cell disease that affects the bone marrow and blood.ObjectiveThis study aimed to investigate the possible role of the Periplaneta americana extract CII-3 (PAE CII-3) in the aging of K562 cells.Materials and MethodsThe proliferation and cell cycle of K562 cells were determined using the CCK-8 assay and the cell cycle assay Read More

Background Globally, hepatitis B and C infect 400 million people, more than 10 times the number of people living with HIV. In 2019, it was estimated that 1.1 million people died as a result of the disease (PAHO/WHO, January 2023). Objective This study aimed to conduct a computational analysis of the proteins that express the hepatitis virus envelope glycoproteins in order to gain insight into their function. Methods Different comp Read More

Background Mentha piperita, a naturally occurring herb, is utilized in medicinal formulations. It possesses abundant bioactive elements, including flavonoids and phenolic acid compounds, that exhibit various properties such as antioxidants, anti-inflammatory and anti-cancer. Objective In the present study, chemical constituents of essential oil extracted from Mentha piperita were analyzed and identified through GC-MS. In vitr Read More

Introduction Parkinson’s disease (PD) is a prevalent neurological disease characterized by the gradual degeneration of dopaminergic neurons leading to a dysfunctional central nervous system. Recently, major metabolites of Coffea arabica leaves were revealed to exhibit good electron-shuttling potential in Microbial Fuel Cells (MFCs), similar to neurotransmitters dopamine and epinephrine. Objective This In silico study ai Read More

Background Parkinson’s Disease is one of the leading neurodegenerative disorders in the world. Currently, there is still no treatment that could completely cure the disease. Traditional Chinese Medicine has been a source for drug candidates, and many studies have elucidated its pharmacokinetic capabilities. Previous studies showed that Magnolia officinalis has anti-inflammatory, antioxidant, and bioenergy gener Read More

Background Epidermal growth factor tyrosine kinase receptor (EGFR) is expressed in a variety of tumors and has become a new target for anti-cancer drugs. In recent years, small molecule inhibitors targeting EGFR have been reported extensively. Objective To investigate the quantitative structure-activity relationship (QSAR) of a set of EGFR inhibitors and design several new EGFR inhibitors with better efficiency and selecti Read More