Expert Opinion on Drug Discovery

Article	Citations
Lessons learned from phenotypic drug discovery efforts	152
Advances in the discovery of drugs that treat pulmonary arterial hypertension	118
What is the plausibility that all drugs will be designed by computers by the end of the decade?	85
Discovery of novel cathepsin K inhibitors for osteoporosis treatment using a deep learning-based strategy	70
Strategies for targeting RNA with small molecule drugs	62
Polypharmacology prediction: the long road toward comprehensively anticipating small-molecule selectivity to de-risk drug discovery	49
γ-Secretase: once and future drug target for Alzheimer’s disease	40
Reality check: lipid-oligonucleotide conjugates for therapeutic applications	39
Advances in ion channel high throughput screening: where are we in 2023?	39
Scaffold hopping approaches for dual-target antitumor drug discovery: opportunities and challenges	38
A comprehensive update on the use of molecular topology applications for anti-infective drug discovery	36
Tools and techniques for the discovery of therapeutic aptamers: recent advances	35
The preclinical discovery and development of gepirone hydrochloride extended-release tablets: the first oral selective 5-HT1A receptor agonist for the treatment of major depressive disorder	34
Bisquinoline as a promising scaffold in anti-infective drug discovery: the current state of the art and future prospects	33
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery	32
Methods in marine natural product drug discovery: what’s new?	32
Designing drugs against leishmaniasis: is targeting the sterol biosynthesis pathway the answer?	32
Acoustic ejection mass spectrometry: fundamentals and applications in high-throughput drug discovery	31
Phenotypic screening for new heart failure therapeutics: scalable animal modeling in zebrafish	31
Novel insights into structure–activity relationships of kynurenine 3-monooxygenase inhibitors (KMOis) with emphasis on chemical space, activity landscape exploration	30
The rules often neglected in current medicinal chemistry	29
A cautionary tale of paradox and false positives in cannabidiol research	29
Water in drug design: pitfalls and good practices	29
Virtual screening: hope, hype, and the fine line in between	28
C. elegans : a prominent platform for modeling and drug screening in neurological disorders	27

An update on knowledge graphs and their current and potential applications in drug discovery	26
Molecular hybridization: a powerful tool for multitarget drug discovery	26
Calcium channel blockers’ contribution to overcoming Current drug discovery challenges in Alzheimer’s disease	25
Identifying novel drugs with new modes of action for neglected tropical fungal skin diseases (fungal skinNTDs) using an Open Source Drug discovery approach	25
Drug design strategies for the treatment azole-resistant candidiasis	23
Current challenges and future perspectives of drug discovery in China	23
The application of pancreatic cancer organoids for novel drug discovery	23
Animal models of chronic obstructive pulmonary disease and their role in drug discovery and development: a critical review	23
Correction	22
Murine models of dengue virus infection for novel drug discovery	22
Novel hydrogels: are they poised to transform 3D cell-based assay systems in early drug discovery?	21
Success stories of AI in drug discovery - where do things stand?	21
Innovative strategies for the discovery of new drugs against alopecia areata: taking aim at the immune system	21
Recent applications of positron emission tomographic (PET) imaging in psychiatric drug discovery	21
Revisiting experimental models of erectile dysfunction and their value in drug discovery and development	20
An overview of the preclinical discovery and development of tezepelumab for the treatment of asthma	20
What are the challenges with multi-targeted drug design for complex diseases?	20
Metabolomics in antimicrobial drug discovery	19
Inhibitors of the PLK1 polo-box domain: drug design strategies and therapeutic opportunities in cancer	19
High performance-oriented computer aided drug design approaches in the exascale era	19
The discovery and development of RNA-based therapies for treatment of HIV-1 infection	19
Unmasking allosteric-binding sites: novel targets for GPCR drug discovery	19
Lessons learned from the discovery and development of the sesquiterpene lactones in cancer therapy and prevention	19
Designing multi-target drugs for the treatment of major depressive disorder	18
Advances in the design, discovery, and optimization of aurora kinase inhibitors as anticancer agents	18
Targeted Degradation of Structured RNAs via Ribonuclease-Targeting Chimeras (RiboTacs)	18
Advances in the discovery of new chemotypes through ultra-large library docking	17
The human NTG model of migraine in drug discovery and development	17
Novel avenues for identification of new antifungal drugs and current challenges	17
A comprehensive update on the application of high-throughput fluorescence imaging for novel drug discovery	17
What have we learnt from past failures in Alzheimer’s disease drug discovery?	17
Mapping strategies towards improved external validity in preclinical translational research	17
PTPN22: structure, function, and developments in inhibitor discovery with applications for immunotherapy	17
How do drug discovery scientists address the unmet need of long COVID syndrome therapeutics and what more can be done?	17
Avenues for antifungal drug discovery and development: where to now?	16
Efflux in Gram-negative bacteria: what are the latest opportunities for drug discovery?	16
Latest developments in engineered skeletal muscle tissues for drug discovery and development	16
In silico drug design strategies for discovering novel tuberculosis therapeutics	16
The discovery and development of novel treatment strategies for filoviruses	16
An overview on small molecules acting as broad-spectrum agents for yellow fever infection	16
Data processing for high-throughput mass spectrometry in drug discovery	16
Advances in structure-activity relationships of HDAC inhibitors as HIV latency-reversing agents	16
Lessons learned from the failure of solanezumab as a prospective treatment strategy for Alzheimer’s disease	16
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 problem of antimalarial resistance and its implications for drug discovery	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	15
Innovative drug discovery strategies in epilepsy: integrating next-generation syndrome-specific mouse models to address pharmacoresistance and epileptogenesis	14

Library size in virtual screening: is it truly a number’s game?	14
Recent animal models of bladder cancer and their application in drug discovery: an update of the literature	14
Long non-coding RNA-targeting therapeutics: discovery and development update	14
The latest advances in high content screening in microfluidic devices	14
Artificial intelligence for small molecule anticancer drug discovery	14
The impact of CD3 affinity-attenuation on T cell engaging bispecific antibodies: is it really that simple?	14
Current views on in vivo models for breast cancer research and related drug development	14
What is the future of click chemistry in drug discovery and development?	14
Strategies for the drug discovery and development of taxane anticancer therapeutics	13
Preclinical models of insomnia: advances, limitations, and future directions for drug discovery	13
Molecular glue degraders: exciting opportunities for novel drug discovery	13
The design and discovery of topoisomerase I inhibitors as anticancer therapies	13
Have spirocyclic scaffolds been properly utilized in recent drug discovery efforts?	13
Validation guidelines for drug-target prediction methods	13
3D bioprinting for organ and organoid models and disease modeling	13
Investigating novel pharmacological strategies for treatment-resistant depression: focus on new mechanisms and approaches	13
Understanding the role of cGAS-STING signaling in ischemic stroke: a new avenue for drug discovery	13
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
Fragment-based approaches to discover ligands for tumor-specific E3 ligases	12
Linkers in fragment-based drug design: an overview of the literature	12
Challenges with the discovery of RNA-based therapeutics for flaviviruses	12
Lessons learnt from machine learning in early stages of drug discovery	12
Using automated patch clamp electrophysiology platforms in ion channel drug discovery: an industry perspective	12
Animal models of Kabuki syndrome and their applicability to novel drug discovery	12
Targeting guanine nucleotide exchange factors for novel cancer drug discovery	12
Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern	12
Perspectives on the success of plasma lipidomics in cardiovascular drug discovery and future challenges	11
Approaches for development of LAG-3 inhibitors and the promise they hold as anticancer agents	11
Is it possible to design a clinically viable heroin vaccine? The progress and pitfalls	11
Novel drug discovery strategies for the treatment of decompensated cirrhosis	11
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	11
Open resources for chemical probes and their implications for future drug discovery	11
Recent advances in cellular models for discovering prion disease therapeutics	11
Role of computational and structural biology in the development of small-molecule modulators of the spliceosome	11
The premise of capsid assembly modulators towards eliminating HBV persistence	10
Advances in the design and discovery of next-generation janus kinase-2 (JAK2) inhibitors for the treatment of myeloproliferative neoplasms	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
A meditation on accelerating the development of small molecule medicines targeting RNA	10
Advances in determining new treatments for hepatitis B infection by utilizing existing and novel biomarkers	10
Challenges faced in developing an ideal chronic wound model	10
Drug discovery and development for fibromyalgia using practical biomarkers throughout the process from relevant animal models to patients	10
Preclinical discovery and development of the casirivimab + imdevimab cocktail for the treatment of novel coronavirus infection: the rise and fall	10
Understanding the structure of measles virus and its implications for novel drug discovery	10
Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules	10
Approaches for the discovery of cinnamic acid derivatives with anticancer potential	10
Natural products as novel scaffolds for the design of glycogen synthase kinase 3β inhibitors	10
Structural and functional annotation of solute carrier transporters: implication for drug discovery	10
15 Years of molecular simulation of drug-binding kinetics	9
Animal models of psoriasis for novel drug discovery: a literature update	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
Advances in the design and development of chemical modulators of the voltage-gated potassium channels K V 7.4 and K V 7.5	9
Stroke genetics and how it Informs novel drug discovery	9
The prediction of protein–ligand unbinding for modern drug discovery	9
Can we make drug discovery targeting fundamental mechanisms of aging a reality?	9
Advances in computer-aided drug design for type 2 diabetes	9
The preclinical discovery and clinical evaluation of tirzepatide for the treatment of type 2 diabetes	9
Industrializing AI-powered drug discovery: lessons learned from the Patrimony computing platform	9
High throughput and targeted screens for prepilin peptidase inhibitors do not identify common inhibitors of eukaryotic gamma-secretase	9
Where lies the future of Ayurveda-inspired drug discovery?	9
Advancing target validation with PROTAC technology	8
Advances in the use of 3D colorectal cancer models for novel drug discovery	8
How can we improve the measurement of receptor signaling bias?	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
Training recurrent neural networks as generative neural networks for molecular structures: how does it impact drug discovery?	8
Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances	8
Biocatalysis for the asymmetric synthesis of Active Pharmaceutical Ingredients (APIs): this time is for real	8
Using in vivo animal models for studying SARS-CoV-2	8
Anti-trypanosomatid structure-based drug design – lessons learned from targeting the folate pathway	8
Lessons learnt from broad-spectrum coronavirus antiviral drug discovery	8
Developing our knowledge of the quinolone scaffold and its value to anticancer drug design	8
Electrophilic warheads in covalent drug discovery: an overview	8
How can we optimize the development of drugs for wound healing?	8
Maximizing the integration of virtual and experimental screening in hit discovery	8
New horizons for obsessive-compulsive disorder drug discovery: is targeting glutamate receptors the answer?	8
Terpyridines as promising antitumor agents: an overview of their discovery and development	8
Artificial intelligence in drug design: why a ‘one-size-fits-all’ approach remains out of reach	8
A more specific concept of a pharmacophore to better rationalize drug design, tailor patient therapy, and tackle bacterial resistance to antibiotics	8
Momelotinib – a tale of trials, tribulations, transfusion independence, and triumph	7

Advances in click chemistry for drug discovery and development	7
The importance of preclinical models for cholangiocarcinoma drug discovery	7
Small-molecule inhibitors in psoriasis: medicinal chemistry insights	7
How good are the current models of adrenocortical carcinoma for novel drug discovery?	7
Novel approaches for the development of direct KRAS inhibitors: structural insights and drug design	7
On-demand modular assembly for expedited PROTAC development	7
New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease	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
Radiosensitivity of rhesus nonhuman primates: consideration of sex, supportive care, body weight, and age at time of exposure	7
Approaches for targeting the mycobactin biosynthesis pathway for novel anti-tubercular drug discovery: where we stand	7
PROTAC antibiotics: the time is now	7
What are the challenges involved in the strategies for future antibody-drug conjugate discovery and development for oncology?	7
Native mass spectrometry for proximity-inducing compounds: a new opportunity for studying chemical-induced protein modulation	7
The potential of academic drug discovery: successes and challenges	7
Targeting the adrenomedullin-2 receptor for the discovery and development of novel anti-cancer agents	7
Applications of graphene-based nanomaterials in drug design: The good, the bad and the ugly	7
Applications of machine learning in microbial natural product drug discovery	7
How to address the complexity of multi-targeted drug discovery for Alzheimer’s disease?	7
Innovative strategies for the discovery of new drugs against androgenetic alopecia	7
Artificial intelligence to predict inhibitors of drug-metabolizing enzymes and transporters for safer drug design	6
Understanding circadian dynamics: current progress and future directions for chronobiology in drug discovery	6
Hydrophobic tagging of small molecules: an overview of the literature and future outlook	6
High-throughput and computational techniques for aptamer design	6
The importance of sulfur-containing motifs in drug design and discovery	6
Tackling the issue of confined chemical space with AI-based de novo drug design and molecular optimization	6
Practical progress towards the development of recombinant antivenoms for snakebite envenoming	6
Application of transporter assays for drug discovery and development: an update of the literature	6
Leveraging nitrogen occurrence in approved drugs to identify structural patterns	6
Successfully navigating the valley of death: the importance of accelerators to support academic drug discovery and development	6
Targeting the cytoskeleton and extracellular matrix in cardiovascular disease drug discovery	6
Lessons learned from the preclinical discovery and development of sarilumab for the treatment of rheumatoid arthritis	6
Evaluating physiochemical properties of FDA-approved orally administered drugs	6
Making the most effective use of available computational methods for drug repositioning	6
Novel strategies for targeting the thioredoxin system for cancer therapy	6
Machine learning-based prediction of drug approvals using molecular, physicochemical, clinical trial, and patent-related features	6
Bridging the gap between target-based and phenotypic-based drug discovery	6
What are the considerations when selecting a model for influenza drug discovery?	6
An overview of the preclinical discovery and development of trastuzumab deruxtecan: a novel gastric cancer therapeutic	6
Development of environmentally biodegradable drugs: what are the key challenges?	6
Generative AI and digital twins: shaping a paradigm shift from precision to truly personalized medicine	6
The latest guidance on the simultaneous design of virtually active and non-hemolytic peptides	6
Drugs targeting the particle for arrangement of quaternary structure (PAQosome) and protein complex assembly	6
Preclinical in vitro models of HNSCC and their role in drug discovery - an emphasis on the cancer microenvironment and microbiota	6
Animal models of systemic lupus erythematosus and their applications in drug discovery	6
Emerging three-dimensional neuronal culture assays for neurotherapeutics drug discovery	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
Design of novel therapeutics targeting the glucose-dependent insulinotropic polypeptide receptor (GIPR) to aid weight loss	5
How can artificial intelligence be utilized for de novo drug design against COVID-19 (SARS-CoV-2)?	5
MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions	5
In silico trials in ocular drug development: a new frontier in ophthalmology	5
The biological role of charge distribution in linear antimicrobial peptides	5
Computer-aided drug discovery strategies for novel therapeutics for prostate cancer leveraging next-generation sequencing data	5
In-silico guided identification and in-vitro studies of potential FFAR4 agonists for type 2 diabetes mellitus therapy	5
The continuing importance of chemical intuition for the medicinal chemist in the era of Artificial Intelligence	5
Acute radiation syndrome drug discovery using organ-on-chip platforms	5
Advances in luminescence-based technologies for drug discovery	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
Drug repurposing in amyotrophic lateral sclerosis (ALS)	5