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Search Results: CTMC
Current Topics in Medicinal Chemistry
ISSN: 1568-0266 (Print)
eISSN: 1873-4294 (Online)
Special Issues With Active Call for Papers
Medicinal Oxidative Stress and Neuroinflammation Chemistry: Pioneering Breakthroughs in the Convergence of Psychiatry
This thematic issue explores the intricate relationship between certain psychological factors (e.g., depression, anxiety) and medicinal oxidative stress chemistry, highlighting the advancements at the intersection of psychiatry. Psychological factors play a significant role in mental health disorders such as schizophrenia, and emerging research suggests that oxidative stress, an imbalance between reactive oxygen species and antioxidant defenses, may contribute to the pathophysiology of psychiatric problems. This special issue sheds light on how medicinal oxidative stress chemistry... see more
Natural Product-Driven Antimicrobial Drug Discovery
Natural products (NPs) have been an important source of drug discovery and development due to their novel structures and wide range of pharmacological activities. Especially in the discovery of antibiotics, most antibiotics are derived from NPs and their derivatives, such as penicillin G, amoxicillin, oxytetracycline, and minocycline. NPs have particular advantages over purely synthetic molecules. First, they are evolutionarily “optimized” structurally for specific biological functions, including anti-infection, interaction with other organisms, and receptor/protein binding. Second,... see more
FUNCTIONAL NANOMATERIALS FOR THE INACTIVATION OF RESISTANT PATHOGENS
In the last century, the rise of microbial infections significantly impacted mortality rates. This global issue was partially addressed by the discovery and development of antibiotics and related substances. However, their extensive use led to the emergence of "antimicrobial resistance," a phenomenon where several pathogens develop mechanisms to evade the effects of these drugs. In this context, the advent of nanotechnology has facilitated the design and development of materials at the sub-micrometric level, aiding in... see more
Vaccines and Therapeutics against Human Respiratory Pathogens
Respiratory viruses like coronavirus, influenza, adenovirus, and respiratory syncytial virus pose severe threats to public health. The ongoing COVID-19 pandemic, caused by SARS-CoV-2, has resulted in over 276 million confirmed cases and over 7 million deaths. Annual influenza epidemics cause 290,000 to 650,000 deaths globally, according to WHO. Vaccines and antiviral agents are key in combating viruses, but their development faces challenges due to virus variations and emerging threats. To address this, urgent exploration of... see more
AlphaFold in Medicinal Chemistry: Opportunities and Challenges
AlphaFold, a groundbreaking AI tool for protein structure prediction, is revolutionizing drug discovery. Its near-atomic accuracy unlocks new avenues for designing targeted drugs and performing efficient virtual screening. However, AlphaFold's static predictions lack the dynamic nature of proteins, crucial for understanding drug action. This is especially true for multi-domain proteins, where binding sites involve domain movements. This special issue captures the transformative potential of AlphaFold on drug discovery. We also welcome research and reviews in... see more
Structure, bioactivities, synthesis, biosynthesis and chemical synthesis of microbial secondary metabolites
The main the scope of the Thematic Issue are structure, bioactivities, synthesis, biosynthesis and chemical synthesis of microbial secondary metabolites. Microbe secondary metabolites contain many pharmacologically active compounds with complex chemical structures and diverse biological activities, which are an important source of potential new drugs and have significant pharmaceutical value. The study of the biosynthesis and chemical synthesis pathways of microbial secondary metabolites will help to subsequently obtain structurally more complex and biologically more diverse... see more
Computer-aided Molecular Design-Algorithm and Application
Computer-aided molecular design is an emerging field that merges multi-scale computation integrating chemoinformatics, structural bioinformatics, systems biology and AI to generate novel molecular structures with high relevance to biology and medicine. To enable effective design, it is essential to develop effective computational algorithms for molecular generation (small molecule or protein) but also high precision tools to assess their impact on the biological system (binding affinity and off-target prediction). Recent advancements in AI and computation have... see more
From Biodiversity to Chemical Diversity: Focus of Flavonoids
Flavonoids are the largest group of polyphenols, plant secondary metabolites arising from the essential aromatic amino acid phenylalanine (or more rarely from tyrosine) via the phenylpropanoid pathway. The flavan nucleus is the basic 15-carbon skeleton of flavonoids (C6-C3-C6), which consists of two phenyl rings (A and B) and a heterocyclic ring (C). The main classes of flavonoids (flavonols, flavanols, flavones, flavanones, isoflavones and anthocyanidins) differ in the level of oxidation and saturation of the C... see more
Therapies applied to biological barriers: from overcoming to tissue regeneration
Biological barriers, such as skin, lungs, and the gastrointestinal tract protect body for entrance of noxious stimuli while performing their function. The immune system on these tissues have evolved complex tissue-specific strategies to aid in this dichotomy. Biotechnological therapies have been widely applied in treating various diseases, particularly in regenerating and overcoming biological barriers. These therapies primarily involve biomacromolecules and innovative technologies, including nano-based systems and biosensors. While their biomedical applications are extensive, a deeper... see more
Hybrid Compounds in polypharmacology
The basic principle of action of a drug is based on model lock and key, where is desirable the highest possible affinity for a target avoiding no side effects. For many years it was desirable‘one drug for one target for one disease’, however the researchers observed that complex diseases are best addressed when treated with drugs multi-targets. In the recent years the researches try find polypharmacology drugs that act on multiple rather than single targets... see more
Natural products and natural products-based formulations in the biomedicine field
Natural products derived from plants, animals, minerals, etc., have attracted much attention in the biomedicine fields. They often have good anti-tumor, anti-viral, anti-inflammatory, anti-bacterial and other physiological activities and excellent biocompatibility, structural modifiable characteristics, are potential treasure house of drug development. Most of them have the advantages of wide source, low cost and easy large-scale industrial production. Therefore, on the basis of natural products, it is of great significance to explore and develop various natural... see more
Drug Development Studies against Neurological Disorders
Neurological disorders such as Alzheimer Disease (AD) and multiple sclerosis (MS) affect millions globally. AD is a neurological disorder that causes the brain to shrink and brain cells to eventually die. Main symptom of AD is dementia. Today, more than 50 million people worldwide are estimated to have AD. However, there is not a determined remedy known against AD today. There are just a few drugs against AD on the market. Unfortunately, none of them... see more
Transcriptional Regulation in Ageing and Age-Related Diseases
Ageing is a universal biological phenomenon that presents a significant challenge to global health due to the rising incidence of age-related diseases. Understanding the transcriptional regulatory mechanisms that drive ageing processes is crucial for developing innovative interventions to enhance healthspan and lifespan. This special issue is particularly timely and relevant given the recent advancements in high-throughput sequencing technologies and bioinformatics tools that have revolutionized our ability to study transcriptional changes on a genome-wide scale. By... see more
Recent Advances in Antimicrobial Research
"Recent Advances in Antimicrobial Research" intends to cover a broad spectrum of topics related to the development, application, and discovery of antimicrobial drugs, as well as understanding the management of antimicrobial resistance (AMR). Antimicrobial resistance poses a serious concern to the efficacy of currently available medicines and hinders our ability to treat various infections, making it a critical global health concern. Researchers have been actively working to advance antimicrobial research in response to this growing... see more
Mendelian randomization applied for tumor personalized drug therapy, molecular mechanisms and new therapeutic targets
The convergence of medicinal chemistry and mendelian randomization analysis represents a dynamic and interdisciplinary area of research with immense potential for advancing cancer therapy. Medicinal chemistry encompasses the design, synthesis, and optimization of small molecules targeting disease pathways, while Mendelian randomization leverages genetic variants as instrumental variables to infer causal relationships between risk factors and disease outcomes. Bioinformatics analysis plays a crucial role in integrating multi-omics data to elucidate the molecular mechanisms of cancer pathogenesis... see more
Chronic Kidney Disease
The scope of the special thematic issue includes but not limited to the mechanism of chronic kidney disease (CKD), the treatment of renal fibrosis and early diagnosis of CKD and so on. We also welcome manuscripts from other scientific research area with respect to internal medicine. Cell death has been a hot topic for a long time. Several novel types of cell death have emerged in recent years such as ferroptosis and cuproptosis. Therefore, in... see more
Natural-derived Products and nanomaterials for treatment of cancer and chronic disorders
Cancer and chronic diseases are major health concerns worldwide, with limited treatment options and high mortality rates. These diseases affect millions of people every year and cause a significant challenge to healthcare systems globally. The current treatment options for cancer and chronic diseases such as diabetes, cardiovascular, pulmonary, and gastrointestinal system disorders, and also nervous system disorders such as Alzheimer's disease are often expensive, have side effects, and may not be effective for all patients.... see more
Artificial intelligence for Natural Products Discovery and Development
Our approach involves using computational methods to predict the potential therapeutic benefits of natural products by considering factors such as drug structure, targets, and interactions. We also employ multitarget analysis to understand the role of drug targets in disease pathways. We advocate for the use of artificial intelligence in predicting drug targets, assessing activity, and predicting toxicity, as well as in studying drug repositioning. We encourage contributors to utilize the latest artificial intelligence techniques, including... see more
Understanding Recent Developments and Molecular Insight into the Therapeutics Potential of Hybrid Molecules
The subject of hybrid medication development research is a particular one which continues to evolve at present.In the field of multidrug-resistant cancers, growing antimicrobial-resistant bacteria, as well as other areas, the incorporation of two or more pharmacophores and/or drug- directing moieties within a single molecule is a promising approach over the creation of novel compounds using optimized pharmacodynamic profiles, which is currently yielding encouraging results. Multiple active segments can be molecularly hybridized within a single... see more
Privileged scaffolds in drug discovery and medicinal chemistry
Privileged scaffolds stand as linchpins in the realm of drug discovery, forming the bedrock for the development of new therapeutic agents. These molecular frameworks, distinguished by their versatile structural features and chemical properties, emerge as important foundation in the quest for groundbreaking drugs. The significance of privileged scaffolds is underscored by their role in furnishing a sturdy platform for the synthesis and fine-tuning of drug candidates, ultimately paving the way for the discovery of efficacious... see more
Neurodegeneration and Health: Diagnosis, Mechanisms, Therapeutics
Neurodegenerative diseases represent a significant challenge to global health, affecting millions of individuals worldwide. This special issue explores the intricate interplay between neurodegeneration and health, delving into the complex landscape of diagnosis, underlying mechanisms, and therapeutic interventions. Through a multidisciplinary approach, we aim to elucidate the pathophysiological processes driving neurodegenerative disorders, identify novel diagnostic biomarkers, uncover therapeutic targets, and explore innovative treatment strategies. By fostering collaboration among researchers, clinicians, and industry experts, this issue seeks... see more
Medicinal Chemistry Advancement in Life-Threatening Diseases
The current issue will highlight concise reports that specify ground-breaking insights, including the novel discovery of drug targets and their action mechanism or drugs of novel classes. These are projected to encourage medicinal chemistry future efforts to address the most challenging medical needs. The current issue highlights further efforts to enhance the services for the Medicinal Chemistry community. By establishing a parallel Topical Collection, we will give more information than just the quick highlights. These... see more
Chemistry Based on Natural Products for Therapeutic Purposes
The development of new pharmaceuticals for a wide range of medical conditions has long relied on the identification of promising natural products (NPs). There are over sixty percent of cancer, infectious illness, and CNS disease medications that include an NP pharmacophore, according to the Food and Drug Administration. Since NP pharmacophores are the only ones that can pass the blood-brain barrier, they are more common (>80%) in central nervous system medications. More than seventy new... see more
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-Aided Drug Design
Drug development discovery has faced several challenges over the years. In fact, the evolution of classical approaches to modern methods using computational methods, or Computer-Aided Drug Design (CADD), has shown promising and essential results in any drug discovery campaign. Among these methods, molecular docking is one of the most notable for identifying critical drugs in the last decade. However, not considering the ligand and target flexibility is a great challenge to this approach. Using molecular... see more
Drug Discovery in the Age of Artificial Intelligence
In the age of artificial intelligence (AI), we have witnessed a significant boom in AI techniques for drug discovery. AI techniques are increasingly integrated and accelerating the drug discovery process. These developments have not only attracted the attention of academia and industry but also raised important questions regarding the selection of the most suitable AI methods. The thematic issue aims to showcase the latest advancements, methodologies, and applications of artificial intelligence in the field of... see more
Molecular Rapid Diagnostic
Molecular rapid diagnostics refer to the swift and accurate identification of specific genetic or molecular markers associated with diseases or conditions. This technology plays a crucial role in modern healthcare for several reasons: 1）Timely Treatment and Intervention；Point-of-Care Testing (POCT); 3) High Sensitivity and Specificity; 4) Early Detection of Diseases; 5) Monitoring and Surveillance; 6) Reducing Transmission of Infectious Agents; 7) Efficient Resource Utilization. At present, CRISPR or/Ago nuclease-based diagnostics hold significant promise in revolutionizing the... see more
Traditional Medicinal Food for Stress and Cancer Intervention
Advances in health care and medicine have increased human life expectancy from an average of 60 to 70 years in the last 4-5 decades. There is a global increase in the number of elderly people and more so in developed countries. On the other hand, increased industrialization of lifestyles, heavy use of chemicals, pollution and extremely competent society has led to exponential increase in physical, chemical, and emotional stresses that we encounter every day and... see more
Synthesis of Biorelevant scaffolds under greener conditions
To save our loving ‘Mother Nature’ from the ever increasing chemical pollution scientists are continuously modifying their chemical processes to make them sustainable. As a result, last decade has shown a tremendous outburst in modifying organic transformations by following green credentials. On the other hand heterocyclic scaffolds are very important as they are very common in naturally occurring bioactive scaffolds as well as in the commercially available drug molecules. This thematic issue intends to highlight... see more