Letters in Drug Design & Discovery - Volume 20, Issue 6, 2023

Background: Cancer incidence and mortality have been increasing, and cancer is still the leading cause of death all over the world. Therefore, expanding the arsenal of anticancer drugs with high efficiency and low toxicity is still one of the most challenging tasks. As a branch of antitumor drug design and discovery, dual-targeting drug candidates draw extensive attention. Objective: In this work, we try to construct a multit Read More

Background: Among Nitrogen-containing heterocyclic compounds, pyridazine derivatives serve as a necessary scaffold as they possess various pharmacological activities. Thus, in recent times, the design of novel synthetic schemes and the selection of a new target for the action of pyridazine derivatives have attracted the attention of researchers. Objective: This study has focused on synthesizing and evaluating the Read More

Background: Cancer is one of the most devastating diseases, affecting the lives of millions of people around the world. Introduction: A series of acenaphtho[1,2-e][1,2,4]triazine containing different thiomethyl-1,2,3-triazole derivatives were designed based on a fragment-based and molecular hybridization approach as anti-cancer agents. Methods: Designed compounds were synthesized using cycloaddition condensation follow Read More

Background: In recent years, Chinese herbal medicine has been gradually emerging as a suitable treatment option for breast cancer. However, the mechanism underlying its effects remains to be elucidated. Objective: The drug targets and Flos Daturae targets were intersected to obtain 86 component-disease intersection genes. Methods: The String database and Cytoscape3.8.0 were employed, and finally, AKT1, MYC, EGFR Read More

Background: Epilepsy is a seizure-related disease with different symptoms and types, depending on the origin and propagation region of the brain. There are several marketed anti-seizure medications (ASMs) available for choice of treatment by clinicians but there is a huge paucity of ideal first-line ASMs. Objective: The present study was undertaken to identify and get an insight into the major target (hub) proteins, which can be Read More

Background: The high mortality rate of cancer is endangering human health, and the research and development of new anticancer drugs have the attention of scientists worldwide. Sulfonamides have become the focus of anticancer drug research. 1,2,3-triazole compounds can inhibit the formation of a variety of tumor cells. Based on the excellent antitumor activity exhibited by the 1,2,3-triazole compound skeleton, the su Read More

Background: COVID-19 (coronavirus disease 2019) is still a major challenge worldwide. The disease is caused by binding the coronavirus to ACE2 receptors on lung cells, infecting the cells and triggering the onset of symptoms. The prevention of such a binding in which the virus is eventually unable to enter the cell could be a promising therapeutic approach. Methods: In this in silico study, 306 compounds of Lamiaceae family Read More

Introduction: This work was devoted to an in silico investigation conducted on twenty-eight Tacrine-hydroxamate derivatives as a potential treatment for Alzheimer’s disease using DFT and QSAR modeling techniques. Methods: The data set was randomly partitioned into a training set (22 compounds) and a test set (6 compounds). Then, fourteen models were built and were used to compute the predicted pIC50 of compou Read More

Background: Immunoglobulins (Igs) are produced in plasma cells in response to glycoproteinlike immunogens and they are also used as therapeutics in the pharmaceutical industry. It may be important to know the effects of therapeutic Igs on Ig levels during therapy to eliminate any misconceptions about the immunity of patients. Objective: This study aimed to investigate the effects of monoclonal antibody (mAb) deri Read More

Background: The blood level of tacrolimus (TAC) used for post-transplant immunosuppression should be within the therapeutic index. Geriatric individuals may be at risk of organ rejection because, in this age group, routine drug use is usually disrupted, and the bioavailability of aging-related drugs is decreased. Objective: The aim of this study was to analyze the age-related variability of blood TAC levels in patients in Turkey. M Read More

Background: The occurrence of Tuberculosis (TB) has significantly increased worldwide. The extensively drug-resistant tuberculosis (XDR-TB) and multi-drug resistant tuberculosis (MDR-TB) have made it more challenging to treat this mycobacterial infection caused by the Mycobacterium tuberculosis MTB-H37Rv strain. The present treatments for tuberculosis are of long duration and with side effects. Thus, it is necessary t Read More

Aims: This study aimed at bioprospecting underexplored extreme habitats (Thar desert, India) for novel bio- and chemo-diversity. Background: Bioactive metabolites from microorganisms, such as fungi from underexplored habitats, serve as basic skeletons of therapeutic agents, including antimicrobials, combating the effect of multidrug resistance of pathogens. Objectives: The main objectives of the current study are (i) ch Read More

Background: Vibrio cholera is a facultative pathogenic bacterium that causes cholera pandemics, primarily in nations with hot and humid climates and large bodies of water containing a large quantity of organic debris. Consumption of V. cholera contaminated water or food causes acute diarrheal illness, followed by severe dehydration and mortality. Cholera is a highly infectious illness, with over 4 million cases recorded gl Read More

Introduction: Modified polymeric materials are nowadays most commonly used for making modified-release pharmaceutical dosage forms. Methods: In this present research study, a grafted copolymer is synthesized by using acrylamide and okra gum with the help of the redox initiator method. The method was optimized using a 3-factor, 2-level central composite design (CCD). Optimization of the synthetic process was Read More

Background: Medicinal plant oils are used in the treatment of various human diseases due to their phytochemical components. Recently, enzyme inhibition studies have been increasing in cosmetics, the food industry, and especially pharmaceuticals. Objective: The main goal of this study is to focus on a specific interaction between the essential oil components of Mentha longifolia ssp. longifolia and carbonic anhydrase (CA) enz Read More

Background: Cancer is a leading cause of death worldwide. EGFR is one of the important targets considered for current chemotherapeutic agents. The problem of drug resistance can be overcome by the use of hybrid molecules. A hybrid of 1,3,4-oxadiazole and chalcone has been proved to be an anti- EGFR inhibitor. Objective: The aim of the study was to carry out pharmacophore optimization of the hybrid nucleus of 1,3,4- oxa Read More