Expert Opinion on Drug Discovery

Article	Citations
Scaffold hopping approaches for dual-target antitumor drug discovery: opportunities and challenges	166
Lessons learned from phenotypic drug discovery efforts	132
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 cancer	81
Advances in the discovery of drugs that treat pulmonary arterial hypertension	77
Strategies for targeting RNA with small molecule drugs	71
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 discovery	69
Reality check: lipid-oligonucleotide conjugates for therapeutic applications	59
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 advances	53
γ-Secretase: once and future drug target for Alzheimer’s disease	53
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 discovery	45
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery	44
An update on knowledge graphs and their current and potential applications in drug discovery	43
The rules often neglected in current medicinal chemistry	37
A cautionary tale of paradox and false positives in cannabidiol research	37
C. elegans : a prominent platform for modeling and drug screening in neurological disorders	37
Acoustic ejection mass spectrometry: fundamentals and applications in high-throughput drug discovery	36
Water in drug design: pitfalls and good practices	35
Calcium channel blockers’ contribution to overcoming Current drug discovery challenges in Alzheimer’s disease	35
Guided structure-based ligand identification and design via artificial intelligence modeling	34
Virtual screening: hope, hype, and the fine line in between	30
Molecular hybridization: a powerful tool for multitarget drug discovery	30

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 China	27
Recent applications of positron emission tomographic (PET) imaging in psychiatric drug discovery	27
Animal models of chronic obstructive pulmonary disease and their role in drug discovery and development: a critical review	27
Correction	27
Revisiting experimental models of erectile dysfunction and their value in drug discovery and development	26
Innovative strategies for the discovery of new drugs against alopecia areata: taking aim at the immune system	25
Drug design strategies for the treatment azole-resistant candidiasis	25
An overview of the preclinical discovery and development of tezepelumab for the treatment of asthma	25
The application of pancreatic cancer organoids for novel drug discovery	24
The discovery and development of RNA-based therapies for treatment of HIV-1 infection	24
Murine models of dengue virus infection for novel drug discovery	23
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 prevention	22
Inhibitors of the PLK1 polo-box domain: drug design strategies and therapeutic opportunities in cancer	22
High performance-oriented computer aided drug design approaches in the exascale era	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
Unmasking allosteric-binding sites: novel targets for GPCR drug discovery	21
Advances in the design, discovery, and optimization of aurora kinase inhibitors as anticancer agents	21
Novel strategies for the development of hand, foot, and mouth disease vaccines and antiviral therapies	21
The human NTG model of migraine in drug discovery and development	20
PTPN22: structure, function, and developments in inhibitor discovery with applications for immunotherapy	20
Metabolomics in antimicrobial drug discovery	20
A comprehensive update on the application of high-throughput fluorescence imaging for novel drug discovery	19
Advances in the discovery of new chemotypes through ultra-large library docking	18
Designing multi-target drugs for the treatment of major depressive disorder	18
Data processing for high-throughput mass spectrometry in drug discovery	17
Mapping strategies towards improved external validity in preclinical translational research	17
An overview on small molecules acting as broad-spectrum agents for yellow fever infection	17
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 diseases	17
Advances in structure-activity relationships of HDAC inhibitors as HIV latency-reversing agents	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
Novel avenues for identification of new antifungal drugs and current challenges	16
Artificial intelligence for small molecule anticancer drug discovery	15
In silico drug design strategies for discovering novel tuberculosis therapeutics	15
Innovative drug discovery strategies in epilepsy: integrating next-generation syndrome-specific mouse models to address pharmacoresistance and epileptogenesis	15
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 leukemia	15
Future prospects of accelerating neuroactive drug discovery with high-throughput behavioral phenotyping	15
The discovery and development of novel treatment strategies for filoviruses	15
The role of rodent behavioral models of schizophrenia in the ongoing search for novel antipsychotics	15
The preclinical discovery and clinical development of ciltacabtagene autoleucel (Cilta-cel) for the treatment of multiple myeloma	15
Targeting protein-protein interactions with low molecular weight and short peptide modulators: insights on disease pathways and starting points for drug discovery	14
The latest advances in high content screening in microfluidic devices	14
Investigating novel pharmacological strategies for treatment-resistant depression: focus on new mechanisms and approaches	14

Lessons learned from the failure of solanezumab as a prospective treatment strategy for Alzheimer’s disease	14
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 literature	14
The problem of antimalarial resistance and its implications for drug discovery	14
An overview of rational design of mRNA-based therapeutics and vaccines	14
Artificial intelligence in early drug discovery enabling precision medicine	14
Molecular glue degraders: exciting opportunities for novel drug discovery	13
The design and discovery of topoisomerase I inhibitors as anticancer therapies	13
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 discovery	13
Long non-coding RNA-targeting therapeutics: discovery and development update	13
Strategies for the drug discovery and development of taxane anticancer therapeutics	13
An update on preclinical pregnancy models of Zika virus infection for drug and vaccine discovery	12
Using automated patch clamp electrophysiology platforms in ion channel drug discovery: an industry perspective	12
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 antagonism	12
Challenges with the discovery of RNA-based therapeutics for flaviviruses	12
Current views on in vivo models for breast cancer research and related drug development	12
3D bioprinting for organ and organoid models and disease modeling	12
Targeting guanine nucleotide exchange factors for novel cancer drug discovery	12
Validation guidelines for drug-target prediction methods	12
Linkers in fragment-based drug design: an overview of the literature	11
Animal models of Kabuki syndrome and their applicability to novel drug discovery	11
Fragment-based approaches to discover ligands for tumor-specific E3 ligases	11
Is it possible to design a clinically viable heroin vaccine? The progress and pitfalls	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
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
The premise of capsid assembly modulators towards eliminating HBV persistence	11
Lessons learnt from machine learning in early stages of drug discovery	11
Perspectives on the success of plasma lipidomics in cardiovascular drug discovery and future challenges	11
Recent advances in cellular models for discovering prion disease therapeutics	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
Role of computational and structural biology in the development of small-molecule modulators of the spliceosome	10
Approaches for development of LAG-3 inhibitors and the promise they hold as anticancer agents	10
Assigning confidence to molecular property prediction	10
Advances in the design and discovery of next-generation janus kinase-2 (JAK2) inhibitors for the treatment of myeloproliferative neoplasms	10
Advances in determining new treatments for hepatitis B infection by utilizing existing and novel biomarkers	10
Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules	10
Challenges faced in developing an ideal chronic wound model	10
Novel drug discovery strategies for the treatment of decompensated cirrhosis	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
Approaches for the discovery of cinnamic acid derivatives with anticancer potential	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
Where lies the future of Ayurveda-inspired drug discovery?	9
Industrializing AI-powered drug discovery: lessons learned from the Patrimony computing platform	9
Structural and functional annotation of solute carrier transporters: implication for drug discovery	9
15 Years of molecular simulation of drug-binding kinetics	9
Preclinical discovery and development of the casirivimab + imdevimab cocktail for the treatment of novel coronavirus infection: the rise and fall	9
A meditation on accelerating the development of small molecule medicines targeting RNA	9
Natural products as novel scaffolds for the design of glycogen synthase kinase 3β inhibitors	9
Current advances in the use of bioluminescence assays for drug discovery: an update of the last ten years	9
Embracing the changes and challenges with modern early drug discovery	9
The preclinical discovery and clinical evaluation of tirzepatide for the treatment of type 2 diabetes	9
Drug discovery and development for fibromyalgia using practical biomarkers throughout the process from relevant animal models to patients	9
Advances in computer-aided drug design for type 2 diabetes	9
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 7.5	8
Stroke genetics and how it Informs novel drug discovery	8
Virtual screening and zebrafish models in tandem, for drug discovery and development	8
Advancing target validation with PROTAC technology	8
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 pathway	8
The prediction of protein–ligand unbinding for modern drug discovery	8
High throughput and targeted screens for prepilin peptidase inhibitors do not identify common inhibitors of eukaryotic gamma-secretase	8
Recent in vivo advances of spirocyclic scaffolds for drug discovery	8
Advances in the use of 3D colorectal cancer models for novel 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
Terpyridines as promising antitumor agents: an overview of their discovery and development	8
Using in vivo animal models for studying SARS-CoV-2	8
How can we improve the measurement of receptor signaling bias?	8
Evolution of the drug-target residence time model	8
Lessons learnt from broad-spectrum coronavirus antiviral drug discovery	8
Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances	8
Phage display technology and its impact in the discovery of novel protein-based drugs	7
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 real	7
On-demand modular assembly for expedited PROTAC development	7
The importance of preclinical models for cholangiocarcinoma drug discovery	7

Momelotinib – a tale of trials, tribulations, transfusion independence, and triumph	7
New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease	7
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 discovery	7
Electrophilic warheads in covalent drug discovery: an overview	7
Innovative strategies for the discovery of new drugs against androgenetic alopecia	7
Maximizing the integration of virtual and experimental screening in hit discovery	7
Small-molecule inhibitors in psoriasis: medicinal chemistry insights	7
Novel approaches for the development of direct KRAS inhibitors: structural insights and drug design	7
Developing our knowledge of the quinolone scaffold and its value to anticancer drug design	7
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 modulation	7
Targeting the adrenomedullin-2 receptor for the discovery and development of novel anti-cancer agents	7
What are the considerations when selecting a model for influenza drug discovery?	6
Leveraging nitrogen occurrence in approved drugs to identify structural patterns	6
Drugs targeting the particle for arrangement of quaternary structure (PAQosome) and protein complex assembly	6
Applications of graphene-based nanomaterials in drug design: The good, the bad and the ugly	6
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 development	6
Artificial intelligence to predict inhibitors of drug-metabolizing enzymes and transporters for safer drug design	6
Novel strategies for targeting the thioredoxin system for cancer therapy	6
Understanding circadian dynamics: current progress and future directions for chronobiology in drug discovery	6
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 exposure	6
Approaches for targeting the mycobactin biosynthesis pathway for novel anti-tubercular drug discovery: where we stand	6
Bridging the gap between target-based and phenotypic-based drug discovery	6
PROTAC antibiotics: the time is now	6
The latest guidance on the simultaneous design of virtually active and non-hemolytic peptides	6
How can we improve peptide drug discovery? Learning from the past	6
Applications of machine learning in microbial natural product drug discovery	6
Animal models of systemic lupus erythematosus and their applications in drug discovery	6
Preclinical in vitro models of HNSCC and their role in drug discovery - an emphasis on the cancer microenvironment and microbiota	6
Application of transporter assays for drug discovery and development: an update of the literature	6
Machine learning-based prediction of drug approvals using molecular, physicochemical, clinical trial, and patent-related features	6
Hydrophobic tagging of small molecules: an overview of the literature and future outlook	5
Evaluating physiochemical properties of FDA-approved orally administered drugs	5
Acute radiation syndrome drug discovery using organ-on-chip platforms	5
Targeting the cytoskeleton and extracellular matrix in cardiovascular disease drug discovery	5
Computer-aided drug discovery strategies for novel therapeutics for prostate cancer leveraging next-generation sequencing data	5
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 peptides	5
The importance of sulfur-containing motifs in drug design and discovery	5
High-throughput and computational techniques for aptamer design	5
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 future	5
Practical progress towards the development of recombinant antivenoms for snakebite envenoming	5
Drug repurposing in amyotrophic lateral sclerosis (ALS)	5
Making the most effective use of available computational methods for drug repositioning	5
Emerging three-dimensional neuronal culture assays for neurotherapeutics drug discovery	5
Lessons learned from the preclinical discovery and development of sarilumab for the treatment of rheumatoid arthritis	5
Generative AI and digital twins: shaping a paradigm shift from precision to truly personalized medicine	5
An overview of the preclinical discovery and development of trastuzumab deruxtecan: a novel gastric cancer therapeutic	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
Integrated machine learning and physics-based methods assisted de novo design of Fatty Acyl-CoA synthase inhibitors	5
Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization towards orally available bifunctional protein degraders	5
MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions	5
Advances in luminescence-based technologies for drug discovery	5