Showing papers in "Drug Discovery Today in 2021"

TL;DR: This review highlights the impactful use of AI in diverse areas of the pharmaceutical sectors viz., drug discovery and development, drug repurposing, improving pharmaceutical productivity, clinical trials, etc, thus reducing the human workload as well as achieving targets in a short period.

TL;DR: In this paper, the authors provide an overview of nasal vaccines with a focus on formulation development as well as ongoing preclinical and clinical studies for SARS-CoV-2 intranasal vaccine products.

TL;DR: The stages of drug discovery are quantified, in which improvements in the time taken, success rate or affordability will have the most profound overall impact on bringing new drugs to market.

TL;DR: This review focusses on the recent developments in the search for small-molecule inhibitors targeting the SARS-CoV-2 main protease (Mpro), with the recent reporting of the X-ray crystal structure of the Sars-Cov-2 Mpro.

TL;DR: The use of advanced techniques are detailed to circumvent challenges of big data, sparsity in data, and their lack of interpretability, to expand the applicability of ML in drug discovery.

TL;DR: In this paper, the authors discuss aspects of, and differences in, data from different domains, namely the image, speech, chemical, and biological domains, the amounts of data available, and how relevant they are to drug discovery.

TL;DR: In this paper, the authors present de novo approaches according to the coarseness of their molecular representation: that is, whether molecular design is modeled on an atom-based, fragment-based or reaction-based paradigm.

TL;DR: In this paper, the authors highlight the molecular avenues regulating P-gp, such as Nrf2, HIF-1α, miRNAs, and long noncoding (lnc)RNAs.

TL;DR: The role of the OS in AD is highlighted and the importance of antioxidants in its treatment is emphasized and scientific evidence is emerging that supports the therapeutic effects of antioxidant in preventing the onset and delaying the progression of AD pathology.

TL;DR: The US experience in 2020 is reviewed with pharmacological EA and EUA approvals during the Coronavirus 2019 pandemic and a description of, and clinical rationale for, each of the five EA- or EUA-approved drugs during the pandemic is provided.

TL;DR: The five-year drug-approval database contains 61 pharmaceutical salts, featuring a diverse range of counterions; however, hydrochlorides are the most abundant.

TL;DR: This review condense the findings, summarize the improvements that are needed for the use of 3D printing in medicine, as well as plausible methods for creating medicines and medical devices in the future.

TL;DR: Recent findings support APE1 as a target in other indications, including ocular diseases [diabetic retinopathy, diabetic macular edema, and age-related macular degeneration], inflammatory bowel disease (IBD) and others, whereAPE1 regulation of crucial TFs impacts important pathways in these diseases.

TL;DR: In this paper, a short review attempts to clarify the challenges for delivery systems designed to cross the BBB, and provides a brief description of the different types of targeted nanodelivery system that have shown potential for success in delivering drugs to the brain.

TL;DR: A broad overview of the progress of immunotherapy-based treatments and discuss future opportunities for their use in triple negative breast cancers (TNBCs) is provided in this paper, where the authors also discuss the potential for using immunotherapy in TNBCs.

TL;DR: In this article, the authors highlight the most recent and promising techniques aimed at the improvement of the oral bioavailability of peptides, which will influence future approaches of pharmaceutical companies in the development of new, more efficient, and safer orally delivered peptides.

TL;DR: In this article, the authors provide an overview of ligand-protein molecular docking and how machine learning, especially deep learning (DL), a subset of ML, is transforming the field by tackling the associated challenges.

TL;DR: AuNPs have been shown to be useful as carriers of various anticancer drugs as well as diagnosis platforms in this paper, where the synthesis and physiochemical properties of AuNPs are discussed.

TL;DR: In this paper, the authors proposed to use drug repurposing screens to identify effective synergistic drug candidates for emerging and re-emerging viruses, such as influenza, severe acute respiratory syndrome-coronavirus (SARS-CoV), Middle East respiratory syndrome (MERS)-CoV, Ebola, Zika, and SARS-CORONAVirus 2 (CoV-2).

TL;DR: In this paper, the authors discuss recent progress and challenges in the use of novel approaches for the biosynthesis of Ag and ZnO nanoparticles that have antibacterial activities, particularly in physiological conditions such as infected wounds or septicemia.

TL;DR: In this article, the authors highlight the different types of chemical modification introduced to date, with a particular focus on internal stimuli-responsive liposomes and prodrug activation, and highlight the various types of liposome-based drug delivery systems.

TL;DR: In this paper, the authors introduce the applications of GNNs in de novo drug design from three aspects: molecule scoring, molecule generation and optimization, and synthesis planning, and discuss the current challenges and future directions of graph neural networks.

TL;DR: In this article, the authors discuss how peptides that are able to bind and inhibit a therapeutic target can be translated into drug leads and discuss the advantages of using peptides as therapeutics to target intracellular protein-protein interactions.

TL;DR: In this article, the authors provide insights into what a successful peptide therapeutic or diagnostic agent looks like and lay the foundation for establishing a set of rules to help future medicinal chemists to design peptide candidates with increased approval rates.

TL;DR: Current understanding of the functions of folate-metabolizing enzymes, especially SHMT2 and MTHFD2, are outlined, discussing their expression, potential functions, and regulatory mechanism in cancers.

TL;DR: In this article, the authors discuss the challenges to the oral delivery of peptides and the approaches used to tackle these challenges, including conventional and novel approaches, such as nanocarriers, site-specific and stimuli specific delivery.

TL;DR: Uncertainty quantification will become a key component in autonomous decision making and will be crucial for integrating machine learning and chemistry automation to create an autonomous design-make-test-analyse cycle.

TL;DR: In this article, a review describes different strategies that can be explored to improve the immunogenicity of plasmid DNA vaccines, including the optimization of the vector backbone, the use of different methods for vaccine delivery, alternative administration routes and the inclusion of adjuvants.

TL;DR: This review summarizes the small-molecule inhibitors interrupting the binding of CD47/SIRPα and regulating CD47 at the transcriptional, translational, and post-translational modification (PTM) levels.

TL;DR: Copper is an essential trace element with vital roles in many metalloenzymes; it is also prominent among nonplatinum anticancer metallodrugs as discussed by the authors.