Expert Opinion on Drug Discovery

Article	Citations
What is the plausibility that all drugs will be designed by computers by the end of the decade?	159
Advances in ion channel high throughput screening: where are we in 2023?	124
Scaffold hopping approaches for dual-target antitumor drug discovery: opportunities and challenges	78
Lessons learned from phenotypic drug discovery efforts	76
Reality check: lipid-oligonucleotide conjugates for therapeutic applications	73
An overview of the preclinical discovery and development of remdesivir for the treatment of coronavirus disease 2019 (COVID-19)	69
The pre-clinical discovery and development of osimertinib used to treat non-small cell lung cancer	68
γ-Secretase: once and future drug target for Alzheimer’s disease	66
Advances in the discovery of drugs that treat pulmonary arterial hypertension	57
Polypharmacology prediction: the long road toward comprehensively anticipating small-molecule selectivity to de-risk drug discovery	54
Strategies for targeting RNA with small molecule drugs	51
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery	49
Methods in marine natural product drug discovery: what’s new?	46
Tools and techniques for the discovery of therapeutic aptamers: recent advances	45
A comprehensive update on the use of molecular topology applications for anti-infective drug discovery	43
An update on knowledge graphs and their current and potential applications in drug discovery	42
Guided structure-based ligand identification and design via artificial intelligence modeling	37
The machine learning life cycle and the cloud: implications for drug discovery	37
C. elegans : a prominent platform for modeling and drug screening in neurological disorders	36
Calcium channel blockers’ contribution to overcoming Current drug discovery challenges in Alzheimer’s disease	36
A cautionary tale of paradox and false positives in cannabidiol research	34
The rules often neglected in current medicinal chemistry	34
Molecular hybridization: a powerful tool for multitarget drug discovery	32
Virtual screening: hope, hype, and the fine line in between	32
Water in drug design: pitfalls and good practices	31

Acoustic ejection mass spectrometry: fundamentals and applications in high-throughput drug discovery	29
The discovery and development of RNA-based therapies for treatment of HIV-1 infection	28
Recent applications of positron emission tomographic (PET) imaging in psychiatric drug discovery	27
Drug design strategies for the treatment azole-resistant candidiasis	27
Novel hydrogels: are they poised to transform 3D cell-based assay systems in early drug discovery?	27
An overview of the preclinical discovery and development of tezepelumab for the treatment of asthma	27
Murine models of dengue virus infection for novel drug discovery	26
Animal models of chronic obstructive pulmonary disease and their role in drug discovery and development: a critical review	25
Correction	25
Current challenges and future perspectives of drug discovery in China	24
Innovative strategies for the discovery of new drugs against alopecia areata: taking aim at the immune system	24
Revisiting experimental models of erectile dysfunction and their value in drug discovery and development	24
Success stories of AI in drug discovery - where do things stand?	23
Identifying novel drugs with new modes of action for neglected tropical fungal skin diseases (fungal skinNTDs) using an Open Source Drug discovery approach	23
What are the challenges with multi-targeted drug design for complex diseases?	23
Inhibitors of the PLK1 polo-box domain: drug design strategies and therapeutic opportunities in cancer	23
Lessons learned from the discovery and development of the sesquiterpene lactones in cancer therapy and prevention	23
The human NTG model of migraine in drug discovery and development	22
The application of pancreatic cancer organoids for novel drug discovery	22
Metabolomics in antimicrobial drug discovery	22
High performance-oriented computer aided drug design approaches in the exascale era	21
Designing multi-target drugs for the treatment of major depressive disorder	21
Advances in the design, discovery, and optimization of aurora kinase inhibitors as anticancer agents	21
PTPN22: structure, function, and developments in inhibitor discovery with applications for immunotherapy	20
Unmasking allosteric-binding sites: novel targets for GPCR drug discovery	20
What have we learnt from past failures in Alzheimer’s disease drug discovery?	20
Targeted Degradation of Structured RNAs via Ribonuclease-Targeting Chimeras (RiboTacs)	20
The design and discovery of phospholipase A2 inhibitors for the treatment of inflammatory diseases	20
Novel strategies for the development of hand, foot, and mouth disease vaccines and antiviral therapies	20
Advances in the discovery of new chemotypes through ultra-large library docking	20
A comprehensive update on the application of high-throughput fluorescence imaging for novel drug discovery	19
Mapping strategies towards improved external validity in preclinical translational research	19
Avenues for antifungal drug discovery and development: where to now?	18
An overview on small molecules acting as broad-spectrum agents for yellow fever infection	17
Latest developments in engineered skeletal muscle tissues for drug discovery and development	17
How do we address neglected sulfur pharmacophores in drug discovery?	16
Novel avenues for identification of new antifungal drugs and current challenges	16
The discovery and development of novel treatment strategies for filoviruses	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
In silico drug design strategies for discovering novel tuberculosis therapeutics	16
Efflux in Gram-negative bacteria: what are the latest opportunities for drug discovery?	15
The latest advances in high content screening in microfluidic devices	15
What is the future of click chemistry in drug discovery and development?	15
Artificial intelligence for small molecule anticancer drug discovery	15
The role of rodent behavioral models of schizophrenia in the ongoing search for novel antipsychotics	15
Artificial intelligence in early drug discovery enabling precision medicine	14
Targeting protein-protein interactions with low molecular weight and short peptide modulators: insights on disease pathways and starting points for drug discovery	14
The preclinical discovery and development of zanubrutinib for the treatment of chronic lymphocytic leukemia	14
An overview of rational design of mRNA-based therapeutics and vaccines	14

Innovative drug discovery strategies in epilepsy: integrating next-generation syndrome-specific mouse models to address pharmacoresistance and epileptogenesis	14
Future prospects of accelerating neuroactive drug discovery with high-throughput behavioral phenotyping	14
Lessons learned from the failure of solanezumab as a prospective treatment strategy for Alzheimer’s disease	14
The preclinical discovery and clinical development of ciltacabtagene autoleucel (Cilta-cel) for the treatment of multiple myeloma	14
Recent animal models of bladder cancer and their application in drug discovery: an update of the literature	13
The problem of antimalarial resistance and its implications for drug discovery	13
Investigating novel pharmacological strategies for treatment-resistant depression: focus on new mechanisms and approaches	13
Current views on in vivo models for breast cancer research and related drug development	13
Validation guidelines for drug-target prediction methods	13
Library size in virtual screening: is it truly a number’s game?	13
Strategies for the drug discovery and development of taxane anticancer therapeutics	12
Using automated patch clamp electrophysiology platforms in ion channel drug discovery: an industry perspective	12
Long non-coding RNA-targeting therapeutics: discovery and development update	12
3D bioprinting for organ and organoid models and disease modeling	12
Molecular glue degraders: exciting opportunities for novel drug discovery	12
An update on preclinical pregnancy models of Zika virus infection for drug and vaccine discovery	12
The design and discovery of topoisomerase I inhibitors as anticancer therapies	12
Understanding the role of cGAS-STING signaling in ischemic stroke: a new avenue for 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
Have spirocyclic scaffolds been properly utilized in recent drug discovery efforts?	12
Fragment-based approaches to discover ligands for tumor-specific E3 ligases	11
Challenges with the discovery of RNA-based therapeutics for flaviviruses	11
Perspectives on the success of plasma lipidomics in cardiovascular drug discovery and future challenges	11
Animal models of Kabuki syndrome and their applicability to novel drug discovery	11
Linkers in fragment-based drug design: an overview of the literature	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
Targeting guanine nucleotide exchange factors for novel cancer drug discovery	11
Open resources for chemical probes and their implications for future drug discovery	11
Lessons learnt from machine learning in early stages of drug discovery	11
Role of computational and structural biology in the development of small-molecule modulators of the spliceosome	10
An overview of the latest in state-of-the-art murine models for prostate cancer	10
An overview of ProTide technology and its implications to drug discovery	10
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	10
Is it possible to design a clinically viable heroin vaccine? The progress and pitfalls	10
Advances in determining new treatments for hepatitis B infection by utilizing existing and novel biomarkers	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
Recent advances in cellular models for discovering prion disease therapeutics	10
Approaches for development of LAG-3 inhibitors and the promise they hold as anticancer agents	10
The premise of capsid assembly modulators towards eliminating HBV persistence	9
Approaches for the discovery of cinnamic acid derivatives with anticancer potential	9
A meditation on accelerating the development of small molecule medicines targeting RNA	9
Preclinical discovery and development of the casirivimab + imdevimab cocktail for the treatment of novel coronavirus infection: the rise and fall	9
Stroke genetics and how it Informs novel drug discovery	9
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	9
Challenges faced in developing an ideal chronic wound model	9
Novel drug discovery strategies for the treatment of decompensated cirrhosis	9
Natural products as novel scaffolds for the design of glycogen synthase kinase 3β inhibitors	9
The prediction of protein–ligand unbinding for modern drug discovery	9
Drug discovery and development for fibromyalgia using practical biomarkers throughout the process from relevant animal models to patients	9
Assigning confidence to molecular property prediction	9
Structural and functional annotation of solute carrier transporters: implication for drug discovery	9
Advances in the design and discovery of next-generation janus kinase-2 (JAK2) inhibitors for the treatment of myeloproliferative neoplasms	9
Advances in computer-aided drug design for type 2 diabetes	9
15 Years of molecular simulation of drug-binding kinetics	9
Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules	9
Can we make drug discovery targeting fundamental mechanisms of aging a reality?	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
High throughput and targeted screens for prepilin peptidase inhibitors do not identify common inhibitors of eukaryotic gamma-secretase	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
Training recurrent neural networks as generative neural networks for molecular structures: how does it impact drug discovery?	8
Industrializing AI-powered drug discovery: lessons learned from the Patrimony computing platform	8
Where lies the future of Ayurveda-inspired drug discovery?	8
How can we improve the measurement of receptor signaling bias?	8
New horizons for obsessive-compulsive disorder drug discovery: is targeting glutamate receptors the answer?	8
Recent in vivo advances of spirocyclic scaffolds for drug discovery	8
Using in vivo animal models for studying SARS-CoV-2	8
Current advances in the use of bioluminescence assays for drug discovery: an update of the last ten years	8
Embracing the changes and challenges with modern early drug discovery	8
Advances in venom peptide drug discovery: where are we at and where are we heading?	8
The preclinical discovery and clinical evaluation of tirzepatide for the treatment of type 2 diabetes	8
Terpyridines as promising antitumor agents: an overview of their discovery and development	8
Evolution of the drug-target residence time model	8
Advances in the use of 3D colorectal cancer models for novel drug discovery	7
On-demand modular assembly for expedited PROTAC development	7
Novel approaches for the development of direct KRAS inhibitors: structural insights and drug design	7
Native mass spectrometry for proximity-inducing compounds: a new opportunity for studying chemical-induced protein modulation	7
Current directions in combining simulation-based macromolecular modeling approaches with deep learning	7
Advancing target validation with PROTAC technology	7
Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances	7

How can we optimize the development of drugs for wound healing?	7
Innovative strategies for the discovery of new drugs against androgenetic alopecia	7
Electrophilic warheads in covalent drug discovery: an overview	7
Maximizing the integration of virtual and experimental screening in hit discovery	7
A more specific concept of a pharmacophore to better rationalize drug design, tailor patient therapy, and tackle bacterial resistance to antibiotics	7
Developing our knowledge of the quinolone scaffold and its value to anticancer drug design	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
Biocatalysis for the asymmetric synthesis of Active Pharmaceutical Ingredients (APIs): this time is for real	7
Lessons learnt from broad-spectrum coronavirus antiviral drug discovery	7
Phage display technology and its impact in the discovery of novel protein-based drugs	6
How good are the current models of adrenocortical carcinoma for novel drug discovery?	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
Applications of machine learning in microbial natural product drug discovery	6
Radiosensitivity of rhesus nonhuman primates: consideration of sex, supportive care, body weight, and age at time of exposure	6
New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease	6
Machine learning-based prediction of drug approvals using molecular, physicochemical, clinical trial, and patent-related features	6
Application of transporter assays for drug discovery and development: an update of the literature	6
Novel strategies for targeting the thioredoxin system for cancer therapy	6
Preclinical in vitro models of HNSCC and their role in drug discovery - an emphasis on the cancer microenvironment and microbiota	6
Targeting the adrenomedullin-2 receptor for the discovery and development of novel anti-cancer agents	6
The importance of preclinical models for cholangiocarcinoma drug discovery	6
How to address the complexity of multi-targeted drug discovery for Alzheimer’s disease?	6
Applications of graphene-based nanomaterials in drug design: The good, the bad and the ugly	6
Animal models of systemic lupus erythematosus and their applications in drug discovery	6
Evaluating physiochemical properties of FDA-approved orally administered drugs	5
Lessons learned from the preclinical discovery and development of sarilumab for the treatment of rheumatoid arthritis	5
Artificial intelligence to predict inhibitors of drug-metabolizing enzymes and transporters for safer drug design	5
An overview of the preclinical discovery and development of trastuzumab deruxtecan: a novel gastric cancer therapeutic	5
Understanding circadian dynamics: current progress and future directions for chronobiology in drug discovery	5
Practical progress towards the development of recombinant antivenoms for snakebite envenoming	5
The biological role of charge distribution in linear antimicrobial peptides	5
Advances in luminescence-based technologies for drug discovery	5
Making the most effective use of available computational methods for drug repositioning	5
Leveraging nitrogen occurrence in approved drugs to identify structural patterns	5
High-throughput and computational techniques for aptamer design	5
The latest guidance on the simultaneous design of virtually active and non-hemolytic peptides	5
Successfully navigating the valley of death: the importance of accelerators to support academic drug discovery and development	5
What are the considerations when selecting a model for influenza drug discovery?	5
How can we improve peptide drug discovery? Learning from the past	5
Acute radiation syndrome drug discovery using organ-on-chip platforms	5
Targeting the cytoskeleton and extracellular matrix in cardiovascular disease drug discovery	5
Drugs targeting the particle for arrangement of quaternary structure (PAQosome) and protein complex assembly	5
Development of environmentally biodegradable drugs: what are the key challenges?	5
PROTAC antibiotics: the time is now	5
Hydrophobic tagging of small molecules: an overview of the literature and future outlook	5
The importance of sulfur-containing motifs in drug design and discovery	5
Retinoic acid-related orphan receptor gamma t (RORγt) inverse agonists/antagonists for the treatment of inflammatory diseases – where are we presently?	5
Emerging three-dimensional neuronal culture assays for neurotherapeutics drug discovery	5
Drug repurposing in amyotrophic lateral sclerosis (ALS)	4
The continuing importance of chemical intuition for the medicinal chemist in the era of Artificial Intelligence	4
Design of novel therapeutics targeting the glucose-dependent insulinotropic polypeptide receptor (GIPR) to aid weight loss	4
The discovery and design of novel HIV-1 capsid modulators and future perspectives	4
How can artificial intelligence be utilized for de novo drug design against COVID-19 (SARS-CoV-2)?	4
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	4
MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions	4
Vaccines on demand, part II: future reality	4
Advances in cryo-electron microscopy (cryoEM) for structure-based drug discovery	4
Computer-aided drug discovery strategies for novel therapeutics for prostate cancer leveraging next-generation sequencing data	4
Integrated machine learning and physics-based methods assisted de novo design of Fatty Acyl-CoA synthase inhibitors	4
Novel targets and inhibitors of the Mycobacterium tuberculosis cytochrome bd oxidase to foster anti-tuberculosis drug discovery	4
Finding a needle in the haystack: ADME and pharmacokinetics/pharmacodynamics characterization and optimization towards orally available bifunctional protein degraders	4
Novel drug discovery strategies for chronic obstructive pulmonary disease: the latest developments	4
The current progress in the use of boron as a platform for novel antiviral drug design	4
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	4
Promising animal models for amyotrophic lateral sclerosis drug discovery: a comprehensive update	4