About this Research Topic
According to the WHO, cancer is of the top causes of mortality and disability, accounting for almost 10 million deaths in 2020, or around one in every six deaths. With environmental changes and degradation, cancer has steadily become a huge danger that affects human health globally. Fighting cancer was found to be possible through anti-angiogenesis mechanisms, as malignant cells are usually associated with increased vascularity. Receptor tyrosine kinases (RTKs) constitute a crucial class of protein kinases that mediate both inter- and intracellular communication through signal transduction. These proteins play a pivotal role in regulating essential cellular processes, such as cell growth, differentiation, metabolism, survival, and proliferation. Worldwide, the prevalence of cancer has been difficult to establish because many areas do not have cancer registries. A lot of approved drugs for treatment have many drawbacks regarding resistance, selectivity and cytotoxicity. These factors necessitate the discovery of new more active, and more selective drugs.
The objective of this Research Topic is to bring together leading researchers to discuss and present their high-quality research papers on cancer management utilizing several in vitro and in silico techniques. In drug discovery and development, computational chemistry plays a vital role by establishing correlations between a drug’s physicochemical properties and its biological activity, enabling the optimization of drug-likeness, pharmacokinetics, and pharmacodynamics. It has emerged as a pivotal tool in the pharmaceutical industry, streamlining the drug discovery process and reducing costs. Also, such computational studies were employed to enhance the drug-likeness, pharmacokinetics, and pharmacodynamics of novel drug candidates. These techniques encompass various approaches, such as molecular design, docking, MD simulations, ADMET, and DFT.
We welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:
• Synthesis of anticancer agents
• Discovery of new kinase inhibitors targeting cancer
• Drug design of new anticancer agents
• Molecular modelling and drug discovery
• New applications in the diagnosis and therapy of cancer
• Reviews for any relevant chemical classes for treatment of cancer
• Natural products and their biological effects as anticancer agents
The objective of this Research Topic is to bring together leading researchers to discuss and present their high-quality research papers on cancer management utilizing several in vitro and in silico techniques. In drug discovery and development, computational chemistry plays a vital role by establishing correlations between a drug’s physicochemical properties and its biological activity, enabling the optimization of drug-likeness, pharmacokinetics, and pharmacodynamics. It has emerged as a pivotal tool in the pharmaceutical industry, streamlining the drug discovery process and reducing costs. Also, such computational studies were employed to enhance the drug-likeness, pharmacokinetics, and pharmacodynamics of novel drug candidates. These techniques encompass various approaches, such as molecular design, docking, MD simulations, ADMET, and DFT.
We welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to:
• Synthesis of anticancer agents
• Discovery of new kinase inhibitors targeting cancer
• Drug design of new anticancer agents
• Molecular modelling and drug discovery
• New applications in the diagnosis and therapy of cancer
• Reviews for any relevant chemical classes for treatment of cancer
• Natural products and their biological effects as anticancer agents
Keywords: Cancer, Drug design, Synthesis, In vitro, In silico
Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.
