Expert Opinion on Drug Discovery

Papers
(The median citation count of Expert Opinion on Drug Discovery is 5. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-06-01 to 2025-06-01.)
ArticleCitations
Scaffold hopping approaches for dual-target antitumor drug discovery: opportunities and challenges166
Lessons learned from phenotypic drug discovery efforts132
An overview of the preclinical discovery and development of remdesivir for the treatment of coronavirus disease 2019 (COVID-19)88
The pre-clinical discovery and development of osimertinib used to treat non-small cell lung cancer81
Advances in the discovery of drugs that treat pulmonary arterial hypertension77
Strategies for targeting RNA with small molecule drugs71
Advances in ion channel high throughput screening: where are we in 2023?70
Polypharmacology prediction: the long road toward comprehensively anticipating small-molecule selectivity to de-risk drug discovery69
Reality check: lipid-oligonucleotide conjugates for therapeutic applications59
What is the plausibility that all drugs will be designed by computers by the end of the decade?56
Tools and techniques for the discovery of therapeutic aptamers: recent advances53
γ-Secretase: once and future drug target for Alzheimer’s disease53
Methods in marine natural product drug discovery: what’s new?50
A comprehensive update on the use of molecular topology applications for anti-infective drug discovery45
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery44
An update on knowledge graphs and their current and potential applications in drug discovery43
The rules often neglected in current medicinal chemistry37
A cautionary tale of paradox and false positives in cannabidiol research37
C. elegans : a prominent platform for modeling and drug screening in neurological disorders37
Acoustic ejection mass spectrometry: fundamentals and applications in high-throughput drug discovery36
Water in drug design: pitfalls and good practices35
Calcium channel blockers’ contribution to overcoming Current drug discovery challenges in Alzheimer’s disease35
Guided structure-based ligand identification and design via artificial intelligence modeling34
Virtual screening: hope, hype, and the fine line in between30
Molecular hybridization: a powerful tool for multitarget drug discovery30
Novel hydrogels: are they poised to transform 3D cell-based assay systems in early drug discovery?29
Current challenges and future perspectives of drug discovery in China27
Recent applications of positron emission tomographic (PET) imaging in psychiatric drug discovery27
Animal models of chronic obstructive pulmonary disease and their role in drug discovery and development: a critical review27
Correction27
Revisiting experimental models of erectile dysfunction and their value in drug discovery and development26
Innovative strategies for the discovery of new drugs against alopecia areata: taking aim at the immune system25
Drug design strategies for the treatment azole-resistant candidiasis25
An overview of the preclinical discovery and development of tezepelumab for the treatment of asthma25
The application of pancreatic cancer organoids for novel drug discovery24
The discovery and development of RNA-based therapies for treatment of HIV-1 infection24
Murine models of dengue virus infection for novel drug discovery23
What are the challenges with multi-targeted drug design for complex diseases?23
Success stories of AI in drug discovery - where do things stand?23
Lessons learned from the discovery and development of the sesquiterpene lactones in cancer therapy and prevention22
Inhibitors of the PLK1 polo-box domain: drug design strategies and therapeutic opportunities in cancer22
High performance-oriented computer aided drug design approaches in the exascale era22
Identifying novel drugs with new modes of action for neglected tropical fungal skin diseases (fungal skinNTDs) using an Open Source Drug discovery approach22
What have we learnt from past failures in Alzheimer’s disease drug discovery?21
Unmasking allosteric-binding sites: novel targets for GPCR drug discovery21
Advances in the design, discovery, and optimization of aurora kinase inhibitors as anticancer agents21
Novel strategies for the development of hand, foot, and mouth disease vaccines and antiviral therapies21
The human NTG model of migraine in drug discovery and development20
PTPN22: structure, function, and developments in inhibitor discovery with applications for immunotherapy20
Metabolomics in antimicrobial drug discovery20
A comprehensive update on the application of high-throughput fluorescence imaging for novel drug discovery19
Advances in the discovery of new chemotypes through ultra-large library docking18
Designing multi-target drugs for the treatment of major depressive disorder18
Data processing for high-throughput mass spectrometry in drug discovery17
Mapping strategies towards improved external validity in preclinical translational research17
An overview on small molecules acting as broad-spectrum agents for yellow fever infection17
Targeted Degradation of Structured RNAs via Ribonuclease-Targeting Chimeras (RiboTacs)17
Avenues for antifungal drug discovery and development: where to now?17
The design and discovery of phospholipase A2 inhibitors for the treatment of inflammatory diseases17
Advances in structure-activity relationships of HDAC inhibitors as HIV latency-reversing agents16
Latest developments in engineered skeletal muscle tissues for drug discovery and development16
How do we address neglected sulfur pharmacophores in drug discovery?16
Novel avenues for identification of new antifungal drugs and current challenges16
Artificial intelligence for small molecule anticancer drug discovery15
In silico drug design strategies for discovering novel tuberculosis therapeutics15
Innovative drug discovery strategies in epilepsy: integrating next-generation syndrome-specific mouse models to address pharmacoresistance and epileptogenesis15
Efflux in Gram-negative bacteria: what are the latest opportunities for drug discovery?15
The preclinical discovery and development of zanubrutinib for the treatment of chronic lymphocytic leukemia15
Future prospects of accelerating neuroactive drug discovery with high-throughput behavioral phenotyping15
The discovery and development of novel treatment strategies for filoviruses15
The role of rodent behavioral models of schizophrenia in the ongoing search for novel antipsychotics15
The preclinical discovery and clinical development of ciltacabtagene autoleucel (Cilta-cel) for the treatment of multiple myeloma15
Targeting protein-protein interactions with low molecular weight and short peptide modulators: insights on disease pathways and starting points for drug discovery14
The latest advances in high content screening in microfluidic devices14
Investigating novel pharmacological strategies for treatment-resistant depression: focus on new mechanisms and approaches14
Lessons learned from the failure of solanezumab as a prospective treatment strategy for Alzheimer’s disease14
What is the future of click chemistry in drug discovery and development?14
Recent animal models of bladder cancer and their application in drug discovery: an update of the literature14
The problem of antimalarial resistance and its implications for drug discovery14
An overview of rational design of mRNA-based therapeutics and vaccines14
Artificial intelligence in early drug discovery enabling precision medicine14
Molecular glue degraders: exciting opportunities for novel drug discovery13
The design and discovery of topoisomerase I inhibitors as anticancer therapies13
Library size in virtual screening: is it truly a number’s game?13
Understanding the role of cGAS-STING signaling in ischemic stroke: a new avenue for drug discovery13
Long non-coding RNA-targeting therapeutics: discovery and development update13
Strategies for the drug discovery and development of taxane anticancer therapeutics13
An update on preclinical pregnancy models of Zika virus infection for drug and vaccine discovery12
Using automated patch clamp electrophysiology platforms in ion channel drug discovery: an industry perspective12
Have spirocyclic scaffolds been properly utilized in recent drug discovery efforts?12
Where do we go next in antidepressant drug discovery? A new generation of antidepressants: a pivotal role of AMPA receptor potentiation and mGlu2/3 receptor antagonism12
Challenges with the discovery of RNA-based therapeutics for flaviviruses12
Current views on in vivo models for breast cancer research and related drug development12
3D bioprinting for organ and organoid models and disease modeling12
Targeting guanine nucleotide exchange factors for novel cancer drug discovery12
Validation guidelines for drug-target prediction methods12
Linkers in fragment-based drug design: an overview of the literature11
Animal models of Kabuki syndrome and their applicability to novel drug discovery11
Fragment-based approaches to discover ligands for tumor-specific E3 ligases11
Is it possible to design a clinically viable heroin vaccine? The progress and pitfalls11
Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern11
Open resources for chemical probes and their implications for future drug discovery11
An overview of the latest in state-of-the-art murine models for prostate cancer11
The premise of capsid assembly modulators towards eliminating HBV persistence11
Lessons learnt from machine learning in early stages of drug discovery11
Perspectives on the success of plasma lipidomics in cardiovascular drug discovery and future challenges11
Recent advances in cellular models for discovering prion disease therapeutics11
Notice of duplicate publication: What are the practical, ethical and pathobiological considerations in the use of minipigs as an animal model in drug discovery for acute radiation syndrome and delayed11
Role of computational and structural biology in the development of small-molecule modulators of the spliceosome10
Approaches for development of LAG-3 inhibitors and the promise they hold as anticancer agents10
Assigning confidence to molecular property prediction10
Advances in the design and discovery of next-generation janus kinase-2 (JAK2) inhibitors for the treatment of myeloproliferative neoplasms10
Advances in determining new treatments for hepatitis B infection by utilizing existing and novel biomarkers10
Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules10
Challenges faced in developing an ideal chronic wound model10
Novel drug discovery strategies for the treatment of decompensated cirrhosis10
Perspectives on the design and discovery of α-ketoamide inhibitors for the treatment of novel coronavirus: where do we stand and where do we go?10
Approaches for the discovery of cinnamic acid derivatives with anticancer potential10
Complementary strategies to be used in conjunction with animal models for multiple sclerosis drug discovery: adapting preclinical validation of drug candidates to the need of remyelinating strategies10
Where lies the future of Ayurveda-inspired drug discovery?9
Industrializing AI-powered drug discovery: lessons learned from the Patrimony computing platform9
Structural and functional annotation of solute carrier transporters: implication for drug discovery9
15 Years of molecular simulation of drug-binding kinetics9
Preclinical discovery and development of the casirivimab + imdevimab cocktail for the treatment of novel coronavirus infection: the rise and fall9
A meditation on accelerating the development of small molecule medicines targeting RNA9
Natural products as novel scaffolds for the design of glycogen synthase kinase 3β inhibitors9
Current advances in the use of bioluminescence assays for drug discovery: an update of the last ten years9
Embracing the changes and challenges with modern early drug discovery9
The preclinical discovery and clinical evaluation of tirzepatide for the treatment of type 2 diabetes9
Drug discovery and development for fibromyalgia using practical biomarkers throughout the process from relevant animal models to patients9
Advances in computer-aided drug design for type 2 diabetes9
Can we make drug discovery targeting fundamental mechanisms of aging a reality?9
New horizons for obsessive-compulsive disorder drug discovery: is targeting glutamate receptors the answer?8
Advances in the design and development of chemical modulators of the voltage-gated potassium channels K V 7.4 and K V 7.58
Stroke genetics and how it Informs novel drug discovery8
Virtual screening and zebrafish models in tandem, for drug discovery and development8
Advancing target validation with PROTAC technology8
Training recurrent neural networks as generative neural networks for molecular structures: how does it impact drug discovery?8
Anti-trypanosomatid structure-based drug design – lessons learned from targeting the folate pathway8
The prediction of protein–ligand unbinding for modern drug discovery8
High throughput and targeted screens for prepilin peptidase inhibitors do not identify common inhibitors of eukaryotic gamma-secretase8
Recent in vivo advances of spirocyclic scaffolds for drug discovery8
Advances in the use of 3D colorectal cancer models for novel drug discovery8
A more specific concept of a pharmacophore to better rationalize drug design, tailor patient therapy, and tackle bacterial resistance to antibiotics8
Terpyridines as promising antitumor agents: an overview of their discovery and development8
Using in vivo animal models for studying SARS-CoV-28
How can we improve the measurement of receptor signaling bias?8
Evolution of the drug-target residence time model8
Lessons learnt from broad-spectrum coronavirus antiviral drug discovery8
Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances8
Phage display technology and its impact in the discovery of novel protein-based drugs7
How to address the complexity of multi-targeted drug discovery for Alzheimer’s disease?7
Biocatalysis for the asymmetric synthesis of Active Pharmaceutical Ingredients (APIs): this time is for real7
On-demand modular assembly for expedited PROTAC development7
The importance of preclinical models for cholangiocarcinoma drug discovery7
Momelotinib – a tale of trials, tribulations, transfusion independence, and triumph7
New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease7
What are the challenges involved in the strategies for future antibody-drug conjugate discovery and development for oncology?7
Nonhuman primates as valuable models for mpox drug and vaccine discovery7
Electrophilic warheads in covalent drug discovery: an overview7
Innovative strategies for the discovery of new drugs against androgenetic alopecia7
Maximizing the integration of virtual and experimental screening in hit discovery7
Small-molecule inhibitors in psoriasis: medicinal chemistry insights7
Novel approaches for the development of direct KRAS inhibitors: structural insights and drug design7
Developing our knowledge of the quinolone scaffold and its value to anticancer drug design7
How can we optimize the development of drugs for wound healing?7
Native mass spectrometry for proximity-inducing compounds: a new opportunity for studying chemical-induced protein modulation7
Targeting the adrenomedullin-2 receptor for the discovery and development of novel anti-cancer agents7
What are the considerations when selecting a model for influenza drug discovery?6
Leveraging nitrogen occurrence in approved drugs to identify structural patterns6
Drugs targeting the particle for arrangement of quaternary structure (PAQosome) and protein complex assembly6
Applications of graphene-based nanomaterials in drug design: The good, the bad and the ugly6
How good are the current models of adrenocortical carcinoma for novel drug discovery?6
Successfully navigating the valley of death: the importance of accelerators to support academic drug discovery and development6
Artificial intelligence to predict inhibitors of drug-metabolizing enzymes and transporters for safer drug design6
Novel strategies for targeting the thioredoxin system for cancer therapy6
Understanding circadian dynamics: current progress and future directions for chronobiology in drug discovery6
Development of environmentally biodegradable drugs: what are the key challenges?6
Radiosensitivity of rhesus nonhuman primates: consideration of sex, supportive care, body weight, and age at time of exposure6
Approaches for targeting the mycobactin biosynthesis pathway for novel anti-tubercular drug discovery: where we stand6
Bridging the gap between target-based and phenotypic-based drug discovery6
PROTAC antibiotics: the time is now6
The latest guidance on the simultaneous design of virtually active and non-hemolytic peptides6
How can we improve peptide drug discovery? Learning from the past6
Applications of machine learning in microbial natural product drug discovery6
Animal models of systemic lupus erythematosus and their applications in drug discovery6
Preclinical in vitro models of HNSCC and their role in drug discovery - an emphasis on the cancer microenvironment and microbiota6
Application of transporter assays for drug discovery and development: an update of the literature6
Machine learning-based prediction of drug approvals using molecular, physicochemical, clinical trial, and patent-related features6
Hydrophobic tagging of small molecules: an overview of the literature and future outlook5
Evaluating physiochemical properties of FDA-approved orally administered drugs5
Acute radiation syndrome drug discovery using organ-on-chip platforms5
Targeting the cytoskeleton and extracellular matrix in cardiovascular disease drug discovery5
Computer-aided drug discovery strategies for novel therapeutics for prostate cancer leveraging next-generation sequencing data5
How can artificial intelligence be utilized for de novo drug design against COVID-19 (SARS-CoV-2)?5
The biological role of charge distribution in linear antimicrobial peptides5
The importance of sulfur-containing motifs in drug design and discovery5
High-throughput and computational techniques for aptamer design5
Retinoic acid-related orphan receptor gamma t (RORγt) inverse agonists/antagonists for the treatment of inflammatory diseases – where are we presently?5
An overview of the preclinical discovery and development of bamlanivimab for the treatment of novel coronavirus infection (COVID-19): reasons for limited clinical use and lessons for the future5
Practical progress towards the development of recombinant antivenoms for snakebite envenoming5
Drug repurposing in amyotrophic lateral sclerosis (ALS)5
Making the most effective use of available computational methods for drug repositioning5
Emerging three-dimensional neuronal culture assays for neurotherapeutics drug discovery5
Lessons learned from the preclinical discovery and development of sarilumab for the treatment of rheumatoid arthritis5
Generative AI and digital twins: shaping a paradigm shift from precision to truly personalized medicine5
An overview of the preclinical discovery and development of trastuzumab deruxtecan: a novel gastric cancer therapeutic5
The 1,2,3-triazole ‘all-in-one’ ring system in drug discovery: a good bioisostere, a good pharmacophore, a good linker, and a versatile synthetic tool5
Integrated machine learning and physics-based methods assisted de novo design of Fatty Acyl-CoA synthase inhibitors5
Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization towards orally available bifunctional protein degraders5
MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions5
Advances in luminescence-based technologies for drug discovery5
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