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Current Topics in Medicinal Chemistry
ISSN: 1568-0266 (Print)
eISSN: 1873-4294 (Online)
Impact Factor :
2.9
CiteScore:
6.4
Editor-in-Chief:
Department of Pharmacology and Toxicology
University of Texas
Galveston, TX
USA
Special Issues With Active Call for Papers
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
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
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
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
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
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
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
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
Next-Generation Drug Targets in Antimicrobial Research: Strategies for Overcoming Resistance
This thematic issue focuses on the urgent need to develop innovative strategies and identify novel drug targets to fight against antimicrobial resistance. As resistant strains of bacteria, fungi, and other pathogens continue to emerge, the global healthcare community faces a critical challenge: the diminishing effectiveness of existing antimicrobial therapies. As traditional antimicrobials lose efficacy, there is an urgent need to identify and exploit novel molecular targets within microbial cells and host-pathogen interactions. To address this,... see more
Novel Strategies to Accelerate the Drug Design and Discovery Process
Drug discovery is a tedious and prolonged process involving the collaborative work of various departments and huge monetary investments. A holistic understanding of the pathology of disease by employing molecular medicine principles could be instrumental in identifying novel targets and fostering promising therapeutics into the pipeline. Medicinal chemistry plays a crucial role in the preclinical stage of the drug discovery process by designing and synthesizing novel molecules that can potentially modulate the targets of interest.... see more
Role of Kynurenine Pathway in Depression and Potential Therapeutic Implications
According to WHO data, one in four people in the world will be affected by mental or neurological disorders at some point in their lives. Although depression is categorized as a brain disorder, its symptomatology includes some behaviors that also occur during chronic inflammatory stress. According to research, cytokine production and immune system activation may have a role in depression, so this relationship has received much attention. Moreover, there is a bidirectional relationship between oxidative... 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
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
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
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
Adaptogens—History and Future Perspectives
Adaptogens are pharmacologically active compounds or plant extracts that are associated with the ability to enhance the body’s stability against stress. The intake of adaptogens is associated not only with a better ability to adapt to stress and maintain or normalise metabolic functions but also with better mental and physical performance. The potential to increase the working capacity makes some of the adaptogens of particular interest for sport medicine. Currently, adaptogens are used by many... 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
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 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
Impact of Cancer, Chemotherapy, and Related Pain on Physical and Mental Health: Unraveling Molecular Mechanisms and Clinical Implications
Cancer and its treatment modalities, particularly chemotherapy, pose significant challenges to patients' quality of life, often exacerbated by persistent pain and mental health disorders. Understanding the interplay between these factors is crucial for improving patient outcomes. This special issue addresses the complex effects of cancer, chemotherapy, and associated pain while acknowledging the inadequately understood physical and neurobiological underpinnings of these conditions. This issue aims to elucidate the molecular mechanisms that link cancer and chemotherapy to... see more
Challenges, Consequences and Possible Treatments of Anticancer Drug Discovery ll
The use of several compounds has been the subject of increasing interest in phytochemistry, biochemistry, and other fields of research at the chemistry-biology-ecosystems interface. In spite of the continued search for new anticancer drugs, cancer remains a leading cause of death. Cancer mortalities are expected to increase to 12.9 million, while cancer incidence itself should rise to 20 million by the year 2030. Chemotherapeutic strategies are needed that provide selective tumor toxicity. However, the most... see more
Recent Advances and Challenges in Molecular Modeling and Interaction for Drug Designing
Molecular modeling and structure prediction along with docking and molecular dynamics simulations have revolutionized the drug designing process. Moreover, modeling tools have proven to be extremely useful in the discovery of new molecules for agricultural and environmental applications too. Several software tools are available to predict the structure of molecules based on different algorithms. Furthermore, for studying the structures of different types of molecules like proteins, lipids, carbohydrates, DNA, RNA and their interactions with other... 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
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
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
Structure, Bio-activities, 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
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
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
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
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
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
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
Deciphering Novel Drug Targets for Alzheimer's Disease
Alzheimer's disease (AD) is one of the most challenging neurodegenerative disorders, affecting millions worldwide with no definitive cure in sight. As the global population ages, the urgency to discover new and effective drug targets for AD intensifies. Emerging molecular targets, such as amyloid beta (Aβ) peptide, GSK-3β, tau protein, apolipoprotein E 4 (APOE4) effects, are gaining recognition for their role in AD pathogenesis. These novel targets open the door to innovative therapies that may interrupt... see more
Natural and synthetic materials in skin wound healing and tissue regeneration
Biomaterials play a crucial role in skin wound healing and tissue regeneration. These materials can be categorized into natural and synthetic biomaterials, each with specific properties and applications that contribute to the healing process and tissue regeneration. Impaired wound healing is a major medical problem, especially in diabetic conditions. Diabetic wound healing is significantly impaired by factors such as hyperglycemia, poor circulation, neuropathy, and immune dysfunction. Effective management involves a multifaceted approach including glycemic control,... 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
Interactions between Drugs or Drug Carriers and Biomolecules of the Cell Membrane
When drugs or drug preparations enter the body, some drugs directly adhere to the cell membrane, insert into the cell membrane, and interact with the lipid and protein molecules on the membrane to play a role. There are also drugs that cross the cell membrane and enter the inside of the cell to exert their effects. It is of great value to study the affinity between drugs and cell membranes, the molecular action and the... see more