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Software for Drug Discovery and Protein Engineering: A Comparison Between the Alternatives and Recent Advancements in Computational Biology
“Omic” technologies (such as genomics, transcriptomics, proteomics, and metabolomics) generate huge databases that demand computational approaches to...
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Combating antimicrobial resistance in malaria, HIV and tuberculosis
Antimicrobial resistance poses a significant threat to the sustainability of effective treatments against the three most prevalent infectious...
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Exploring the therapeutic potential of SGLT2 inhibitors in cancer treatment: integrating in silico and in vitro investigations
The present study aimed to investigate the anti-cancer mechanism of canagliflozin (CANA) and dapagliflozin (DAPA), sodium-glucose co-transporter-2...
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Gallic acid derived diarylpropanones exhibit synergistic antibacterial activities
Development of resistance against most of the clinical antibiotics is a menace to mankind for their use in future. Present study aimed at design and...
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Artificial Intelligence in Drug Discovery and Development
This chapter comprehensively explores the pivotal role of artificial intelligence (AI) in drug discovery and development, encapsulating its...
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Unveiling Nature’s Arsenal: Natural Sources for Drug Discovery in Alzheimer’s Disease
Alzheimer’s disease (AD) imposes a significant global healthcare challenge, as it currently lacks a definitive cure. This devastating condition...
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Antiviral alternatives against important members of the subfamily Parvovirinae: a review
Parvoviruses are responsible for multiple diseases, and there is a critical need for effective antiviral therapies. Specific antiviral treatments for...
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Artificial Intelligence: Its Critical Role in the Diagnosis, Prophylaxis, and Therapy of Epilepsy
Epilepsy has been and will continue to be one of the most prominent neurological diseases known to humans. This debilitating neurological disease...
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Know your molecule: pharmacological characterization of drug candidates to enhance efficacy and reduce late-stage attrition
Despite advances in chemical, computational and biological sciences, the rate of attrition of drug candidates in clinical development is still high....
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Personalization of medical treatments in oncology: time for rethinking the disease concept to improve individual outcomes
The agenda of pharmacology discovery in the field of personalized oncology was dictated by the search of molecular targets assumed to...
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Bioinformatics Databases and Tools Available for the Development of Antiviral Drugs
Viruses are responsible for spreading diseases and severe threats to humankind. Emerging viruses and their enigmatic genomic mutations are a serious...
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Methods for Rational Design and Discovery of Multitarget Drugs
Choosing a proper strategy is the first step or prerequisite for drug design/discovery, particularly rational design of multitarget drugs (MTDs),...
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The In Silico Fischer Lock-and-Key Model: The Combined Use of Molecular Descriptors and Docking Poses for the Repurposing of Old Drugs
Not always lead compound and/or derivatives are suitable for the specific biological target for which they are designed but, in some cases, discarded...
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Unraveling the Mechanisms of Clinical Drugs-Induced Neural Tube Defects Based on Network Pharmacology and Molecular Docking Analysis
Chemotherapeutic agents such as methotrexate (MTX), raltitrexed (RTX), 5-fluorouracil (5-FU), hydroxyurea (HU), and retinoic acid (RA), and valproic...
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Advanced Technologies in Health and Neurodegenerative Diseases
The aim of this chapter is to present some of the latest technological trends in health and medicine, which will have a great impact on how we handle...
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Multi-compound and drug-combination pharmacokinetic research on Chinese herbal medicines
Traditional medicine has provided a basis for health care and disease treatment to Chinese people for millennia, and herbal medicines are regulated...
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Dual HDAC/BRD4 inhibitors against cancer
Despite much research and undeniable advances, cancer treatment and prevention has remained a major challenge for scientists. Both genetic and...
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Natural Product-Based Drug Designing for Treatment of Human Parasitic Diseases
Medicinal plants are the source of various therapeutic agents, including crude extracts and pharmacologically active compounds. Many novel targets...
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The Efficiency of Multi-target Drugs: A Network Approach
Multi-target agents have attracted great attention in the last 15 years, as they are expected to provide more efficacious and safer therapeutic...