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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
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
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
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
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
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
Recent advances in Drug Discovery and Targeted Therapy
Drug discovery and targeted therapy have advanced significantly in recent years, leading to improved treatment options for various diseases and conditions. This progress has been driven by advancements in technology, increased understanding of disease mechanisms, and the development of innovative therapeutic approaches. The advance of drug discovery and targeted therapy has significantly improved the treatment options available to patients. These advancements have led to more effective and precise therapies, reduced side effects, and improved patient... 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
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
The Development of Molecular, Supramolecular and Physical Drugs
The forthcoming thematic issue, 'The Development of Molecular, Supramolecular, and Physical Drugs,' offers a profound exploration into the intricate domain of drug design and modification. This specialized compilation comprehensively investigates molecular drugs, targeting specific biological entities, supramolecular drugs characterized by intricate molecular assemblies facilitating complex interactions, and physical drugs, harnessing non-chemical mechanisms like radiation or magnetic fields for therapeutic efficacy. By integrating these diverse aspects, this collection illuminates the distinct advantages inherent in each drug... 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
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
Neurodegenerative Diseases: Drug Discovery and Therapeutic Strategies
Neurodegenerative diseases pose an escalating global health challenge, with conditions such as Alzheimer's, Parkinson's, Huntington's, and ALS affecting millions worldwide. The urgent need for effective treatments has spurred a surge of research in medicinal chemistry, leading to breakthroughs in drug discovery and innovative therapeutic strategies. The thematic issue on "Neurodegenerative Diseases: Drug Discovery and Therapeutic Strategies" in "Current Topics in Medicinal Chemistry" aims to explore the latest advancements in this dynamic field. This thematic issue... see more
Neurochemistry of psychosis
This thematic issue will focus on explanatory mechanisms of neurochemical interactions, which underpin the development of psychosis. It will deliver summary of recent advances in laboratory studies to capture signatures of disease on the level of biochemical pathways and molecular signatures of disease. Those will encompass essential and faculty metabolism (neuro-active substances) of neurons as well as their relation to other significant pathways such as oxidative stress and immune modulation as possible demarcations of new... 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
QSAR, Molecular Docking and MD Simulation guided Lead Identification and Exploration of Binding mode of Action on Potential Targets
Quantitative structure-activity relationships (QSAR) have emerged as a rational alternative in order to find new natural bioactive molecules. Many chemical descriptors can be used to describe organic molecular structure and their physico-chemical properties. Developing a predictive QSAR model for screening of bioactive natural compounds based on molecular structure is very important goal for medicinal chemist. Different chemical descriptors can be used to show correlation with bioactivity through different supervised machine learning methods such as regression.... see more