Expert Opinion on Drug Discovery

Article	Citations
Lessons learned from phenotypic drug discovery efforts	139
An overview of the preclinical discovery and development of remdesivir for the treatment of coronavirus disease 2019 (COVID-19)	95
Strategies for targeting RNA with small molecule drugs	78
Advances in the discovery of drugs that treat pulmonary arterial hypertension	74
Advances in ion channel high throughput screening: where are we in 2023?	73
Reality check: lipid-oligonucleotide conjugates for therapeutic applications	71
What is the plausibility that all drugs will be designed by computers by the end of the decade?	61
γ-Secretase: once and future drug target for Alzheimer’s disease	60
Scaffold hopping approaches for dual-target antitumor drug discovery: opportunities and challenges	57
Polypharmacology prediction: the long road toward comprehensively anticipating small-molecule selectivity to de-risk drug discovery	54
Methods in marine natural product drug discovery: what’s new?	47
A comprehensive update on the use of molecular topology applications for anti-infective drug discovery	45
Tools and techniques for the discovery of therapeutic aptamers: recent advances	38
A cautionary tale of paradox and false positives in cannabidiol research	37
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery	37
The rules often neglected in current medicinal chemistry	37
Virtual screening: hope, hype, and the fine line in between	36
Water in drug design: pitfalls and good practices	36
An update on knowledge graphs and their current and potential applications in drug discovery	30
Calcium channel blockers’ contribution to overcoming Current drug discovery challenges in Alzheimer’s disease	30
C. elegans : a prominent platform for modeling and drug screening in neurological disorders	30
Guided structure-based ligand identification and design via artificial intelligence modeling	30
Molecular hybridization: a powerful tool for multitarget drug discovery	29
Acoustic ejection mass spectrometry: fundamentals and applications in high-throughput drug discovery	29
Novel hydrogels: are they poised to transform 3D cell-based assay systems in early drug discovery?	28

Correction	27
Current challenges and future perspectives of drug discovery in China	26
Animal models of chronic obstructive pulmonary disease and their role in drug discovery and development: a critical review	26
Revisiting experimental models of erectile dysfunction and their value in drug discovery and development	26
Murine models of dengue virus infection for novel drug discovery	25
Drug design strategies for the treatment azole-resistant candidiasis	25
The discovery and development of RNA-based therapies for treatment of HIV-1 infection	25
Innovative strategies for the discovery of new drugs against alopecia areata: taking aim at the immune system	25
Inhibitors of the PLK1 polo-box domain: drug design strategies and therapeutic opportunities in cancer	24
Recent applications of positron emission tomographic (PET) imaging in psychiatric drug discovery	24
Lessons learned from the discovery and development of the sesquiterpene lactones in cancer therapy and prevention	23
Success stories of AI in drug discovery - where do things stand?	22
What are the challenges with multi-targeted drug design for complex diseases?	22
An overview of the preclinical discovery and development of tezepelumab for the treatment of asthma	22
Identifying novel drugs with new modes of action for neglected tropical fungal skin diseases (fungal skinNTDs) using an Open Source Drug discovery approach	22
What have we learnt from past failures in Alzheimer’s disease drug discovery?	21
The application of pancreatic cancer organoids for novel drug discovery	21
Advances in the design, discovery, and optimization of aurora kinase inhibitors as anticancer agents	21
The design and discovery of phospholipase A2 inhibitors for the treatment of inflammatory diseases	21
High performance-oriented computer aided drug design approaches in the exascale era	21
Mapping strategies towards improved external validity in preclinical translational research	20
Advances in the discovery of new chemotypes through ultra-large library docking	19
A comprehensive update on the application of high-throughput fluorescence imaging for novel drug discovery	19
Designing multi-target drugs for the treatment of major depressive disorder	18
PTPN22: structure, function, and developments in inhibitor discovery with applications for immunotherapy	18
Targeted Degradation of Structured RNAs via Ribonuclease-Targeting Chimeras (RiboTacs)	18
Metabolomics in antimicrobial drug discovery	17
The human NTG model of migraine in drug discovery and development	17
Avenues for antifungal drug discovery and development: where to now?	17
Unmasking allosteric-binding sites: novel targets for GPCR drug discovery	17
Novel strategies for the development of hand, foot, and mouth disease vaccines and antiviral therapies	17
An overview on small molecules acting as broad-spectrum agents for yellow fever infection	16
Advances in structure-activity relationships of HDAC inhibitors as HIV latency-reversing agents	16
Novel avenues for identification of new antifungal drugs and current challenges	16
In silico drug design strategies for discovering novel tuberculosis therapeutics	16
Latest developments in engineered skeletal muscle tissues for drug discovery and development	16
How do we address neglected sulfur pharmacophores in drug discovery?	16
Data processing for high-throughput mass spectrometry in drug discovery	16
The role of rodent behavioral models of schizophrenia in the ongoing search for novel antipsychotics	15
Innovative drug discovery strategies in epilepsy: integrating next-generation syndrome-specific mouse models to address pharmacoresistance and epileptogenesis	15
What is the future of click chemistry in drug discovery and development?	15
Efflux in Gram-negative bacteria: what are the latest opportunities for drug discovery?	15
The discovery and development of novel treatment strategies for filoviruses	15
Lessons learned from the failure of solanezumab as a prospective treatment strategy for Alzheimer’s disease	15
The preclinical discovery and clinical development of ciltacabtagene autoleucel (Cilta-cel) for the treatment of multiple myeloma	15
Future prospects of accelerating neuroactive drug discovery with high-throughput behavioral phenotyping	15
Targeting protein-protein interactions with low molecular weight and short peptide modulators: insights on disease pathways and starting points for drug discovery	15
The impact of CD3 affinity-attenuation on T cell engaging bispecific antibodies: is it really that simple?	15
The latest advances in high content screening in microfluidic devices	14
Artificial intelligence for small molecule anticancer drug discovery	14

The preclinical discovery and development of zanubrutinib for the treatment of chronic lymphocytic leukemia	14
The problem of antimalarial resistance and its implications for drug discovery	14
Have spirocyclic scaffolds been properly utilized in recent drug discovery efforts?	13
Understanding the role of cGAS-STING signaling in ischemic stroke: a new avenue for drug discovery	13
Investigating novel pharmacological strategies for treatment-resistant depression: focus on new mechanisms and approaches	13
Strategies for the drug discovery and development of taxane anticancer therapeutics	13
Library size in virtual screening: is it truly a number’s game?	13
An overview of rational design of mRNA-based therapeutics and vaccines	13
Long non-coding RNA-targeting therapeutics: discovery and development update	13
Recent animal models of bladder cancer and their application in drug discovery: an update of the literature	13
Targeting guanine nucleotide exchange factors for novel cancer drug discovery	12
The design and discovery of topoisomerase I inhibitors as anticancer therapies	12
Molecular glue degraders: exciting opportunities for novel drug discovery	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 antagonism	12
Animal models of Kabuki syndrome and their applicability to novel drug discovery	12
3D bioprinting for organ and organoid models and disease modeling	12
An update on preclinical pregnancy models of Zika virus infection for drug and vaccine discovery	12
Current views on in vivo models for breast cancer research and related drug development	12
Validation guidelines for drug-target prediction methods	12
Preclinical models of insomnia: advances, limitations, and future directions for drug discovery	12
Challenges with the discovery of RNA-based therapeutics for flaviviruses	12
Perspectives on the success of plasma lipidomics in cardiovascular drug discovery and future challenges	11
Advances in the design and discovery of next-generation janus kinase-2 (JAK2) inhibitors for the treatment of myeloproliferative neoplasms	11
Recent advances in cellular models for discovering prion disease therapeutics	11
Using automated patch clamp electrophysiology platforms in ion channel drug discovery: an industry perspective	11
Linkers in fragment-based drug design: an overview of the literature	11
Lessons learnt from machine learning in early stages of drug discovery	11
Is it possible to design a clinically viable heroin vaccine? The progress and pitfalls	11
Fragment-based approaches to discover ligands for tumor-specific E3 ligases	11
Open resources for chemical probes and their implications for future drug discovery	11
An overview of the latest in state-of-the-art murine models for prostate cancer	11
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 delayed	11
Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern	11
Novel drug discovery strategies for the treatment of decompensated cirrhosis	10
Structural and functional annotation of solute carrier transporters: implication for drug discovery	10
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 strategies	10
The premise of capsid assembly modulators towards eliminating HBV persistence	10
Role of computational and structural biology in the development of small-molecule modulators of the spliceosome	10
Approaches for the discovery of cinnamic acid derivatives with anticancer potential	10
Challenges faced in developing an ideal chronic wound model	10
Approaches for development of LAG-3 inhibitors and the promise they hold as anticancer agents	10
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
15 Years of molecular simulation of drug-binding kinetics	9
Drug discovery and development for fibromyalgia using practical biomarkers throughout the process from relevant animal models to patients	9
The preclinical discovery and clinical evaluation of tirzepatide for the treatment of type 2 diabetes	9
A meditation on accelerating the development of small molecule medicines targeting RNA	9
Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules	9
Natural products as novel scaffolds for the design of glycogen synthase kinase 3β inhibitors	9
Advances in computer-aided drug design for type 2 diabetes	9
Preclinical discovery and development of the casirivimab + imdevimab cocktail for the treatment of novel coronavirus infection: the rise and fall	9
Advances in determining new treatments for hepatitis B infection by utilizing existing and novel biomarkers	9
Current advances in the use of bioluminescence assays for drug discovery: an update of the last ten years	9
Industrializing AI-powered drug discovery: lessons learned from the Patrimony computing platform	9
Can we make drug discovery targeting fundamental mechanisms of aging a reality?	9
Using in vivo animal models for studying SARS-CoV-2	8
Training recurrent neural networks as generative neural networks for molecular structures: how does it impact drug discovery?	8
How can we improve the measurement of receptor signaling bias?	8
Advances in the design and development of chemical modulators of the voltage-gated potassium channels K V 7.4 and K V 7.5	8
Anti-trypanosomatid structure-based drug design – lessons learned from targeting the folate pathway	8
Virtual screening and zebrafish models in tandem, for drug discovery and development	8
Recent in vivo advances of spirocyclic scaffolds for drug discovery	8
A more specific concept of a pharmacophore to better rationalize drug design, tailor patient therapy, and tackle bacterial resistance to antibiotics	8
Stroke genetics and how it Informs novel drug discovery	8
The prediction of protein–ligand unbinding for modern drug discovery	8
New horizons for obsessive-compulsive disorder drug discovery: is targeting glutamate receptors the answer?	8
Evolution of the drug-target residence time model	8
Biocatalysis for the asymmetric synthesis of Active Pharmaceutical Ingredients (APIs): this time is for real	8
Terpyridines as promising antitumor agents: an overview of their discovery and development	8
Where lies the future of Ayurveda-inspired drug discovery?	8
Embracing the changes and challenges with modern early drug discovery	8
High throughput and targeted screens for prepilin peptidase inhibitors do not identify common inhibitors of eukaryotic gamma-secretase	8
Maximizing the integration of virtual and experimental screening in hit discovery	7
Electrophilic warheads in covalent drug discovery: an overview	7
How can we optimize the development of drugs for wound healing?	7
Targeting the adrenomedullin-2 receptor for the discovery and development of novel anti-cancer agents	7
Phage display technology and its impact in the discovery of novel protein-based drugs	7
Nonhuman primates as valuable models for mpox drug and vaccine discovery	7
Advances in the use of 3D colorectal cancer models for novel drug discovery	7
Lessons learnt from broad-spectrum coronavirus antiviral drug discovery	7
Innovative strategies for the discovery of new drugs against androgenetic alopecia	7

Momelotinib – a tale of trials, tribulations, transfusion independence, and triumph	7
What are the challenges involved in the strategies for future antibody-drug conjugate discovery and development for oncology?	7
The importance of preclinical models for cholangiocarcinoma drug discovery	7
On-demand modular assembly for expedited PROTAC development	7
Advancing target validation with PROTAC technology	7
Developing our knowledge of the quinolone scaffold and its value to anticancer drug design	7
Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances	7
New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease	7
Small-molecule inhibitors in psoriasis: medicinal chemistry insights	7
Native mass spectrometry for proximity-inducing compounds: a new opportunity for studying chemical-induced protein modulation	7
Applications of machine learning in microbial natural product drug discovery	6
Novel approaches for the development of direct KRAS inhibitors: structural insights and drug design	6
How to address the complexity of multi-targeted drug discovery for Alzheimer’s disease?	6
Novel strategies for targeting the thioredoxin system for cancer therapy	6
Animal models of systemic lupus erythematosus and their applications in drug discovery	6
How can we improve peptide drug discovery? Learning from the past	6
Applications of graphene-based nanomaterials in drug design: The good, the bad and the ugly	6
Development of environmentally biodegradable drugs: what are the key challenges?	6
Application of transporter assays for drug discovery and development: an update of the literature	6
Drugs targeting the particle for arrangement of quaternary structure (PAQosome) and protein complex assembly	6
Successfully navigating the valley of death: the importance of accelerators to support academic drug discovery and development	6
Machine learning-based prediction of drug approvals using molecular, physicochemical, clinical trial, and patent-related features	6
Understanding circadian dynamics: current progress and future directions for chronobiology in drug discovery	6
Approaches for targeting the mycobactin biosynthesis pathway for novel anti-tubercular drug discovery: where we stand	6
High-throughput and computational techniques for aptamer design	6
Bridging the gap between target-based and phenotypic-based drug discovery	6
Radiosensitivity of rhesus nonhuman primates: consideration of sex, supportive care, body weight, and age at time of exposure	6
Preclinical in vitro models of HNSCC and their role in drug discovery - an emphasis on the cancer microenvironment and microbiota	6
How good are the current models of adrenocortical carcinoma for novel drug discovery?	6
Artificial intelligence to predict inhibitors of drug-metabolizing enzymes and transporters for safer drug design	6
Lessons learned from the preclinical discovery and development of sarilumab for the treatment of rheumatoid arthritis	6
What are the considerations when selecting a model for influenza drug discovery?	6
PROTAC antibiotics: the time is now	6
Advances in luminescence-based technologies for drug discovery	5
An overview of the preclinical discovery and development of trastuzumab deruxtecan: a novel gastric cancer therapeutic	5
The latest guidance on the simultaneous design of virtually active and non-hemolytic peptides	5
Practical progress towards the development of recombinant antivenoms for snakebite envenoming	5
Retinoic acid-related orphan receptor gamma t (RORγt) inverse agonists/antagonists for the treatment of inflammatory diseases – where are we presently?	5
Vaccines on demand, part II: future reality	5
Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization towards orally available bifunctional protein degraders	5
Acute radiation syndrome drug discovery using organ-on-chip platforms	5
Generative AI and digital twins: shaping a paradigm shift from precision to truly personalized medicine	5
Hydrophobic tagging of small molecules: an overview of the literature and future outlook	5
Targeting the cytoskeleton and extracellular matrix in cardiovascular disease drug discovery	5
Drug repurposing in amyotrophic lateral sclerosis (ALS)	5
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 tool	5
Computer-aided drug discovery strategies for novel therapeutics for prostate cancer leveraging next-generation sequencing data	5
Novel targets and inhibitors of the Mycobacterium tuberculosis cytochrome bd oxidase to foster anti-tuberculosis drug discovery	5
Emerging three-dimensional neuronal culture assays for neurotherapeutics drug discovery	5
Evaluating physiochemical properties of FDA-approved orally administered drugs	5
Leveraging nitrogen occurrence in approved drugs to identify structural patterns	5
The importance of sulfur-containing motifs in drug design and discovery	5
The biological role of charge distribution in linear antimicrobial peptides	5
Integrated machine learning and physics-based methods assisted de novo design of Fatty Acyl-CoA synthase inhibitors	5
Making the most effective use of available computational methods for drug repositioning	5
The continuing importance of chemical intuition for the medicinal chemist in the era of Artificial Intelligence	5