Drug Discovery Today

Article	Citations
Can drug production be democratized?	809120313
Artificial intelligence in drug discovery and development	466
Role of oxidative stress in depression	268
Recent discovery and development of inhibitors targeting coronaviruses	256
Fsp3: A new parameter for drug-likeness	151
Intranasal vaccines for SARS-CoV-2: From challenges to potential in COVID-19 management	140
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet	131
Potential SARS-CoV-2 main protease inhibitors	119
High-Throughput Screening: today’s biochemical and cell-based approaches	114
Epitope-based vaccine design: a comprehensive overview of bioinformatics approaches	113
3D printing for drug delivery and biomedical applications	112
Zeolites in drug delivery: Progress, challenges and opportunities	109
Optimising proteolysis-targeting chimeras (PROTACs) for oral drug delivery: a drug metabolism and pharmacokinetics perspective	107
De novo molecular design and generative models	103
Machine learning models for drug–target interactions: current knowledge and future directions	101
Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling	99
Comparison of DNA and mRNA vaccines against cancer	99
Machine-learning methods for ligand–protein molecular docking	96
The combination of disulfiram and copper for cancer treatment	93
Bayer’s in silico ADMET platform: a journey of machine learning over the past two decades	89
Fundamental aspects of DMPK optimization of targeted protein degraders	86
Ionic liquids: green and tailor-made solvents in drug delivery	84
Theranostic application of nanoemulsions in chemotherapy	84
Challenges and hopes for Alzheimer’s disease	83
Application of mesoporous silica nanoparticles as drug delivery carriers for chemotherapeutic agents	83

Advances in understanding the role of P-gp in doxorubicin resistance: Molecular pathways, therapeutic strategies, and prospects	82
Discovering small-molecule therapeutics against SARS-CoV-2	82
Prussian blue nanoparticles: synthesis, surface modification, and biomedical applications	79
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data	77
Advanced machine-learning techniques in drug discovery	76
Déjà vu: Stimulating open drug discovery for SARS-CoV-2	73
Role of reactive oxygen species in the progression of Alzheimer’s disease	70
Graph neural networks for automated de novo drug design	70
Advanced glycation end products in diabetes, cancer and phytochemical therapy	69
Recent advances in targeted nanomedicine as promising antitumor therapeutics	67
Exploring chemical space using natural language processing methodologies for drug discovery	66
Recent advances in metabolomics analysis for early drug development	64
Covalent fragment libraries in drug discovery	64
Drug combination therapy for emerging viral diseases	63
Gold nanoparticles: synthesis, physiochemical properties and therapeutic applications in cancer	63
Synthesis and modification of bio-derived antibacterial Ag and ZnO nanoparticles by plants, fungi, and bacteria	61
New perspectives in oral peptide delivery	60
Recent advances in nano delivery systems for blood-brain barrier (BBB) penetration and targeting of brain tumors	60
COVID-19 and pneumonia: a role for the uPA/uPAR system	59
Chloroquine against malaria, cancers and viral diseases	58
Nanovehicles for co-delivery of anticancer agents	58
The multifunctional APE1 DNA repair–redox signaling protein as a drug target in human disease	58
Advances in antibody phage display technology	57
Recent developments in pharmaceutical salts: FDA approvals from 2015 to 2019	55
Converting peptides into drugs targeting intracellular protein–protein interactions	53
Fragment-based drug discovery using cryo-EM	53
PepTherDia: database and structural composition analysis of approved peptide therapeutics and diagnostics	52
Stimulus-responsive liposomes for biomedical applications	51
Image-based high-content screening in drug discovery	50
The emerging role of immune checkpoint inhibitors in the treatment of triple-negative breast cancer	50
Organotypic cancer tissue models for drug screening: 3D constructs, bioprinting and microfluidic chips	49
Folate-mediated one-carbon metabolism: a targeting strategy in cancer therapy	49
Passive microwave radiometry in biomedical studies	49
Small molecules and their impact in drug discovery: A perspective on the occasion of the 125th anniversary of the Bayer Chemical Research Laboratory	49
m6A RNA methylation and beyond – The epigenetic machinery and potential treatment options	49
Leucine as an excipient in spray dried powder for inhalation	49
Utility of Pickering emulsions in improved oral drug delivery	48
Expanded Access Programs, compassionate drug use, and Emergency Use Authorizations during the COVID-19 pandemic.	48
AI-based language models powering drug discovery and development	46
Biochemical pathways of copper complexes: progress over the past 5 years	45
3D printing technology as innovative solutions for biomedical applications	45
Stimuli-responsive hydrogels for intratumoral drug delivery	44
Zebrafish as a model for inflammation and drug discovery	44
Advances in targeting the WNT/β-catenin signaling pathway in cancer	43
The quest for the holy grail: new antitubercular chemical entities, targets and strategies	43
Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods	43
Polymer–drug conjugates: recent advances and future perspectives	42
Enhancing preclinical drug discovery with artificial intelligence	41
Methods to improve the immunogenicity of plasmid DNA vaccines	41
The development of small-molecule inhibitors targeting CD47	41

Boosting the arsenal against COVID-19 through computational drug repurposing	41
The PI3K/Akt/mTOR pathway: A potential pharmacological target in COVID-19	41
Psoriasis: pathological mechanisms, current pharmacological therapies, and emerging drug delivery systems	40
The innovative potential of selenium-containing agents for fighting cancer and viral infections	40
Uncertainty quantification in drug design	40
Pharmaceutical nanocrystals: A promising approach for improved topical drug delivery	40
The rise and rise of protein degradation: Opportunities and challenges ahead	40
Deep learning methods for molecular representation and property prediction	40
Recent advances in developing polymeric micelles for treating cancer: Breakthroughs and bottlenecks in their clinical translation	39
Flexibility in early drug discovery: focus on the beyond-Rule-of-5 chemical space	39
Advances in the preparation and synthesis of heparin and related products	39
Oral peptide delivery: challenges and the way ahead	39
Emerging vaccine delivery systems for COVID-19	38
Myotonic dystrophy type 1 drug development: A pipeline toward the market	38
Electrochemical biosensors: a nexus for precision medicine	38
Exportin 1 inhibition as antiviral therapy	38
An updated review of folate-functionalized nanocarriers: A promising ligand in cancer	38
PDE5 and PDE10 inhibition activates cGMP/PKG signaling to block Wnt/β-catenin transcription, cancer cell growth, and tumor immunity	38
FABP5 as a novel molecular target in prostate cancer	37
Extracellular vesicles from mesenchymal stem cells as a Covid-19 treatment	37
Obesity and insulin resistance: Pathophysiology and treatment	37
Dendrimer– and polymeric nanoparticle–aptamer bioconjugates as nonviral delivery systems: a new approach in medicine	36
Selenium as an emerging versatile player in heterocycles and natural products modification	36
Strategies for maximizing photothermal conversion efficiency based on organic dyes	35
Approaches to advance drug discovery for neglected tropical diseases	35
Peptide-based drug discovery: Current status and recent advances	35
The emerging nature of Ubiquitin-specific protease 7 (USP7): a new target in cancer therapy	35
Bigels as drug delivery systems: From their components to their applications	35
Inhibiting ferroptosis: A novel approach for stroke therapeutics	35
Molecular interactions at the colchicine binding site in tubulin: An X-ray crystallography perspective	35
Applications of artificial intelligence in drug development using real-world data	34
Allosteric binding sites at the receptor–lipid bilayer interface: novel targets for GPCR drug discovery	34
Specific and selective induction of miR-124 in immune cells by the quinoline ABX464: a transformative therapy for inflammatory diseases	33
Recent progress on cheminformatics approaches to epigenetic drug discovery	33
Sortase A (SrtA) inhibitors as an alternative treatment for superbug infections	33
Long noncoding RNAs (lncRNAs) in pancreatic cancer progression	33
Frequent hitters: nuisance artifacts in high-throughput screening	33
The upside of being a digital pharma player	33
Artificial intelligence-enhanced drug design and development: Toward a computational precision medicine	32
Can easy chemistry produce complex, diverse, and novel molecules?	32
Drug discovery for enzymes	32
Design of bivalent ligands targeting putative GPCR dimers	31
Artificial intelligence in virtual screening: Models versus experiments	31
Long-acting microneedles: a progress report of the state-of-the-art techniques	31
Pseudomonas aeruginosa elastase (LasB) as a therapeutic target	31
Advances in differentiation therapy for osteosarcoma	31
Use of artificial intelligence to enhance phenotypic drug discovery	30
Novel and investigational therapies for wet and dry age-related macular degeneration	30
Understanding molecular upsets in diabetic nephropathy to identify novel targets and treatment opportunities	30
Novel approaches for the delivery of therapeutics in ischemic stroke	30
Advanced nanodelivery platforms for topical ophthalmic drug delivery	30
Novel approaches for the treatment of methicillin-resistant Staphylococcus aureus: Using nanoparticles to overcome multidrug resistance	30
Recent advances in lung-on-a-chip models	30
Degraders early developability assessment: face-to-face with molecular properties	29
Deep learning in next-generation sequencing	29
Study of pharmacogenomic information in FDA-approved drug labeling to facilitate application of precision medicine	29
Applications of magnetotactic bacteria and magnetosome for cancer treatment: A review emphasizing on practical and mechanistic aspects	29
Recent advances in HER2-targeted delivery for cancer therapy	29
Recent advances in ultrasound-triggered drug delivery through lipid-based nanomaterials	29
Chiral switches of chloroquine and hydroxychloroquine: potential drugs to treat COVID-19	28
Drugs acting on the renin–angiotensin system and SARS-CoV-2	28
Applications of density functional theory in COVID-19 drug modeling	28
Therapeutic potential of nanoemulsions as feasible wagons for targeting Alzheimer’s disease	28
The rise of molecular simulations in fragment-based drug design (FBDD): an overview	28
Micro- and nanoformulations of paclitaxel based on micelles, liposomes, cubosomes, and lipid nanoparticles: Recent advances and challenges	28
Streamlined approval of biosimilars: moving on from the confirmatory efficacy trial	28
Current status and future prospects of pathophysiology-based neuroprotective drugs for the treatment of vascular dementia	28
Double-edged sword: Therapeutic efficacy versus toxicity evaluations of doped titanium implants	28
Critical considerations in the formulation development of parenteral biologic drugs	27
Targeting post-translational modification of transcription factors as cancer therapy	27
Taming the cytokine storm: repurposing montelukast for the attenuation and prophylaxis of severe COVID-19 symptoms	27
Improving the therapeutic efficiency of noncoding RNAs in cancers using targeted drug delivery systems	27
Transcription factor EB: an emerging drug target for neurodegenerative disorders	27
Renal cell carcinoma therapy: Current and new drug candidates	27
Neurotrophin-targeted therapeutics: A gateway to cognition and more?	27
Advances in the development of entry inhibitors for sialic-acid-targeting viruses	27
Multiple approaches for achieving drug solubility: an in silico perspective	27
Humans are animals, but are animals human enough? A systematic review and meta-analysis on interspecies differences in renal drug clearance	27
Neoadjuvant chemotherapy-related platinum resistance in ovarian cancer	26
Positive AMPA receptor modulation in the treatment of neuropsychiatric disorders: A long and winding road	26

Prevention of COVID-19 by drug repurposing: rationale from drugs prescribed for mental disorders	26
Using medical microwave radiometry for brain temperature measurements	26
Teaching an old dog new tricks: Drug discovery by repositioning natural products and their derivatives	26
New avenues in artificial-intelligence-assisted drug discovery	25
Solute carrier proteins and c-Myc: a strong connection in cancer progression	25
Nanomedicine-driven molecular targeting, drug delivery, and therapeutic approaches to cancer chemoresistance	25
The global hearing therapeutic pipeline: 2021	25
PD-1/PD-L1 counterattack alliance: multiple strategies for treating triple-negative breast cancer	25
Recent advances in, and challenges of, anti-angiogenesis agents for tumor chemotherapy based on vascular normalization	25
Tumor-infiltrating CD8+ T cell antitumor efficacy and exhaustion: molecular insights	25
Bioink: a 3D-bioprinting tool for anticancer drug discovery and cancer management	25
Role of STAT3 signaling transduction pathways in cancer stem cell-associated chemoresistance	25
Development of small-molecule PCSK9 inhibitors for the treatment of hypercholesterolemia	25
Nicotinamide N-methyl transferase (NNMT): An emerging therapeutic target	25
Advance of promising targets and agents against COVID-19 in China	24
The clinical significance of 4D printing	24
Impact of the Protein Data Bank on antineoplastic approvals	24
Treatments of trimethylaminuria: where we are and where we might be heading	24
Duocarmycin-based antibody–drug conjugates as an emerging biotherapeutic entity for targeted cancer therapy: Pharmaceutical strategy and clinical progress	24
The era of gene therapy: From preclinical development to clinical application	24
Quantum computing's potential for drug discovery: Early stage industry dynamics	24
Reviving an R&D pipeline: a step change in the Phase II success rate	24
Postoperative cognitive dysfunction: an acute approach for the development of novel treatments for neuroinflammation	24
The production and bioactivity of prodigiosin: quo vadis?	24
Therapeutic potential of targeting regulatory mechanisms of hepatic stellate cell activation in liver fibrosis	24
R&D efficiency of leading pharmaceutical companies – A 20-year analysis	24
Thymoquinone: A small molecule from nature with high therapeutic potential	24
Nanodelivery of immunogenic cell death-inducers for cancer immunotherapy	23
A systems biology approach for studying neurodegenerative diseases	23
Targeting reactive oxygen species in stem cells for bone therapy	23
Potential therapeutics using tumor-secreted lactate in nonsmall cell lung cancer	23
Efficacy of repurposed antiviral drugs: Lessons from COVID-19	23
Engineered nasal dry powder for the encapsulation of bioactive compounds	23
Union is strength: antiviral and anti-inflammatory drugs for COVID-19	23
COVID-19 therapeutics: Small-molecule drug development targeting SARS-CoV-2 main protease	22
Nanotechnology in the diagnosis and treatment of stroke	22
Vorinostat in autophagic cell death: A critical insight into autophagy-mediated, -associated and -dependent cell death for cancer prevention	22
Therapeutic aspects of the Axl/Gas6 molecular system	22
ATP-binding cassette efflux transporters and MDR in cancer	22
Shotgun drug repurposing biotechnology to tackle epidemics and pandemics	22
Deep learning in target prediction and drug repositioning: Recent advances and challenges	22
TNF-α: The shape of small molecules to come?	22
Recent advances in the development of microparticles for pulmonary administration	22
Repurposing of the gold drug auranofin and a review of its derivatives as antibacterial therapeutics	22
Drug repurposing: An effective strategy to accelerate contemporary drug discovery	22
Entolimod as a radiation countermeasure for acute radiation syndrome	22
Yes SIR! On the structure–inactivity relationships in drug discovery	22
Medicinal mushrooms: Clinical perspective and challenges	22
In vivo therapeutic applications of phosphorus dendrimers: state of the art	22
Could PROTACs Protect Us From COVID-19?	22
Strengthening regulatory science in academia: STARS, an EU initiative to bridge the translational gap	21
Positron emission tomographic imaging in drug discovery	21
Treating age-related multimorbidity: the drug discovery challenge	21
Acyl glucuronide reactivity in perspective	21
Engineering extracellular matrix to improve drug delivery for cancer therapy	21
Addressing the tumour microenvironment in early drug discovery: a strategy to overcome drug resistance and identify novel targets for cancer therapy	21
Oral meropenem for superbugs: challenges and opportunities	21
Compound–protein interaction prediction by deep learning: Databases, descriptors and models	21
Nanotechnological approaches for targeting amyloid-β aggregation with potential for neurodegenerative disease therapy and diagnosis	21
Targeting kinases with thymoquinone: a molecular approach to cancer therapeutics	21
Nipping disease in the bud: nSMase2 inhibitors as therapeutics in extracellular vesicle-mediated diseases	21
High‐throughput screening assays for SARS‐CoV‐2 drug development: Current status and future directions	21
Biomimetic bacterial and viral-based nanovesicles for drug delivery, theranostics, and vaccine applications	20
Inflammation control and improvement of cognitive function in COVID-19 infections: is there a role for kynurenine 3-monooxygenase inhibition?	20
Market access of gene therapies across Europe, USA, and Canada: challenges, trends, and solutions	20
Drugging the ‘undruggable’. Therapeutic targeting of protein–DNA interactions with the use of computer-aided drug discovery methods	20
Machine Learning guided early drug discovery of small molecules	20
An industrial approach towards solid dosage development for first-in-human studies: Application of predictive science and lean principles	20
Plasmid manufacture is the bottleneck of the genetic medicine revolution	20
Specific NLRP3 inflammasome inhibitors: promising therapeutic agents for inflammatory diseases	20
Integration of AI and traditional medicine in drug discovery	20
Comprehensive approach of hybrid nanoplatforms in drug delivery and theranostics to combat cancer	20
Development of inhibitors for uPAR: blocking the interaction of uPAR with its partners	20
Epigenetic regulation in macrophage migration inhibitory factor (MIF)-mediated signaling in cancer and inflammation	20
Targeting regulated cell death (RCD) with small-molecule compounds in cancer therapy: A revisited review of apoptosis, autophagy-dependent cell death and necroptosis	20
Durable cell and gene therapy potential patient and financial impact: US projections of product approvals, patients treated, and product revenues	20
Nanofibers as drug-delivery systems for antimicrobial peptides	20
Calming the cytokine storm of COVID-19 through inhibition of JAK2/STAT3 signaling	20
Harnessing systematic protein–ligand interaction fingerprints for drug discovery	19
Automated synthesis: current platforms and further needs	19
Exosome-cargoed microRNAs: Potential therapeutic molecules for diabetic wound healing	19
Small-molecule modulators of the circadian clock: Pharmacological potentials in circadian-related diseases	19
Phytonanomedicine: a novel avenue to treat recurrent cancer by targeting cancer stem cells	19
A decade of machine learning-based predictive models for human pharmacokinetics: Advances and challenges	19
Recombinant human H2 relaxin (serelaxin) as a cardiovascular drug: aiming at the right target	19
Structural insights into understudied human cytochrome P450 enzymes	19
Viral replicons as valuable tools for drug discovery	19
Cancer stem cells and nanomedicine: new opportunities to combat multidrug resistance?	19
Lipid/polymer-based nanocomplexes in nucleic acid delivery as cancer vaccines	18
Toward improving androgen receptor-targeted therapies in male-dominant hepatocellular carcinoma	18
Biofilm control by ionic liquids	18
Advances in the computational landscape for repurposed drugs against COVID-19	18
AlphaFold, allosteric, and orthosteric drug discovery: Ways forward	18
Regulatory status quo and prospects for biosurfactants in pharmaceutical applications	18
How can the potential of the duocarmycins be unlocked for cancer therapy?	18