Expert Opinion on Drug Discovery

Article	Citations
The preclinical discovery and development of deucravacitinib for the treatment of psoriasis	244
The preclinical discovery and development of zanubrutinib for the treatment of chronic lymphocytic leukemia	152
Training recurrent neural networks as generative neural networks for molecular structures: how does it impact drug discovery?	116
Polypharmacology prediction: the long road toward comprehensively anticipating small-molecule selectivity to de-risk drug discovery	77
An insight into artificial intelligence in drug discovery: an interview with Professor Gisbert Schneider	73
Reality check: lipid-oligonucleotide conjugates for therapeutic applications	65
Advances in the discovery of drugs that treat pulmonary arterial hypertension	65
The discovery and development of novel treatment strategies for filoviruses	64
The development of peptide- and oligonucleotide-based drugs to prevent the formation of abnormal tau in tauopathies	63
The latest advances in high content screening in microfluidic devices	58
Advances in the discovery of heterocyclic-based drugs against Alzheimer’s disease	55
Advances in ion channel high throughput screening: where are we in 2023?	48
Designing inhaled small molecule drugs for severe respiratory diseases: an overview of the challenges and opportunities	48
Prudent tactics to sail the boat of PARP inhibitors as therapeutics for diverse malignancies	48
Unblinding the watchmaker: cancer treatment and drug design in the face of evolutionary pressure	46
What is an ideal antibiotic and what does this mean for future drug discovery and design?	45
Discovery of RNA-targeted small molecules through the merging of experimental and computational technologies	42
Lessons learned from phenotypic drug discovery efforts	40
What is the future of click chemistry in drug discovery and development?	40
The role of rodent behavioral models of schizophrenia in the ongoing search for novel antipsychotics	36
Future prospects of accelerating neuroactive drug discovery with high-throughput behavioral phenotyping	35
Advances in cryo-electron microscopy (cryoEM) for structure-based drug discovery	35
Inhibitors and PROTACs of CDK2: challenges and opportunities	34
An overview of the preclinical discovery and development of remdesivir for the treatment of coronavirus disease 2019 (COVID-19)	34
Fluorescent quantum dots enable SARS-CoV-2 antiviral drug discovery and development	33

Overcoming multidrug resistance through targeting ABC transporters: lessons for drug discovery	33
Developing our knowledge of the quinolone scaffold and its value to anticancer drug design	31
Tixagevimab + cilgavimab against SARS-CoV-2: the preclinical and clinical development and real-world evidence	31
Recent advances in measurement of metabolic clearance, metabolite profile and reaction phenotyping of low clearance compounds	30
Biocatalysis for the asymmetric synthesis of Active Pharmaceutical Ingredients (APIs): this time is for real	29
The application of WaterMap-guided structure-based virtual screening in novel drug discovery	28
What is the plausibility that all drugs will be designed by computers by the end of the decade?	27
Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances	27
γ-Secretase: once and future drug target for Alzheimer’s disease	26
Unveiling dynamics of nitrogen content and selected nitrogen heterocycles in thrombin inhibitors: a ceteris paribus approach	25
The preclinical discovery and clinical development of ciltacabtagene autoleucel (Cilta-cel) for the treatment of multiple myeloma	24
The discovery and design of novel HIV-1 capsid modulators and future perspectives	24
A more specific concept of a pharmacophore to better rationalize drug design, tailor patient therapy, and tackle bacterial resistance to antibiotics	24
Scaffold hopping approaches for dual-target antitumor drug discovery: opportunities and challenges	24
In silico drug discovery of melatonin receptor ligands with therapeutic potential	23
Advances in the approaches used to repurpose drugs for neuroblastoma	23
Artificial intelligence for small molecule anticancer drug discovery	23
The current progress in the use of boron as a platform for novel antiviral drug design	22
Efflux in Gram-negative bacteria: what are the latest opportunities for drug discovery?	22
Omega-3 polyunsaturated fatty acid derived lipid mediators: a comprehensive update on their application in anti-cancer drug discovery	21
Maximizing the integration of virtual and experimental screening in hit discovery	21
Lessons learnt from broad-spectrum coronavirus antiviral drug discovery	21
In vitro screening technologies for the discovery and development of novel drugs against Toxoplasma gondii	20
Identification of the abnormalities in astrocytic functions as potential drug targets for neurodegenerative disease	20
The problem of antimalarial resistance and its implications for drug discovery	20
Innovative drug discovery strategies in epilepsy: integrating next-generation syndrome-specific mouse models to address pharmacoresistance and epileptogenesis	20
Advances with the discovery and development of novel sigma 1 receptor antagonists for the management of pain	20
Current directions in combining simulation-based macromolecular modeling approaches with deep learning	20
Strategies for targeting RNA with small molecule drugs	19
Molecular dynamics simulations for the structure-based drug design: targeting small-GTPases proteins	19
Targeting protein-protein interactions with low molecular weight and short peptide modulators: insights on disease pathways and starting points for drug discovery	19
Artificial intelligence in early drug discovery enabling precision medicine	18
Electrophilic warheads in covalent drug discovery: an overview	18
Lessons learned from the failure of solanezumab as a prospective treatment strategy for Alzheimer’s disease	18
Advances in the discovery of novel agents for the treatment of glaucoma	18
The latest developments in the design and discovery of non-nucleoside reverse transcriptase inhibitors (NNRTIs) for the treatment of HIV	18
Discovery of CFTR modulators for the treatment of cystic fibrosis	17
Discovery, preclinical development, and clinical application of pralsetinib in the treatment of thyroid cancer	16
Advances in the use of 3D colorectal cancer models for novel drug discovery	16
The pre-clinical discovery and development of osimertinib used to treat non-small cell lung cancer	16
An overview of rational design of mRNA-based therapeutics and vaccines	16
1,2,3,4-Tetrahydroisoquinoline (THIQ) as privileged scaffold for anticancer de novo drug design	16
Opportunities and challenges in new HIV therapeutic discovery: what is the next step?	16
Advances in chalcone-based anticancer therapy: mechanisms, preclinical advances, and future perspectives	15
Exploring open source as a strategy to enhance R&D productivity	15
The discovery of novel antivirals for the treatment of mpox: is drug repurposing the answer?	15
Investigating novel pharmacological strategies for treatment-resistant depression: focus on new mechanisms and approaches	14
Nature as a source and inspiration for human monoamine oxidase B (hMAO-B) inhibition: A review of the recent advances in chemical modification of natural compounds	14
What are the challenges involved in the strategies for future antibody-drug conjugate discovery and development for oncology?	14
Novel approaches for the development of direct KRAS inhibitors: structural insights and drug design	14

The discovery and development of gefapixant as a novel antitussive therapy	14
Galaxy for open-source computational drug discovery solutions	14
Combinatorial approaches for novel cardiovascular drug discovery: a review of the literature	13
Today’s drug discovery and the shadow of the rule of 5	13
How can we optimize the development of drugs for wound healing?	13
Animal models of Huntington’s disease and their applicability to novel drug discovery and development	13
Library size in virtual screening: is it truly a number’s game?	13
The application of snake venom in anticancer drug discovery: an overview of the latest developments	13
Recent animal models of bladder cancer and their application in drug discovery: an update of the literature	13
The discovery and development of transmembrane serine protease 2 (TMPRSS2) inhibitors as candidate drugs for the treatment of COVID-19	13
An update on lipophilic efficiency as an important metric in drug design	12
How do we further enhance 2D fingerprint similarity searching for novel drug discovery?	12
Current strategic trends in drug discovery: the present as prologue	12
Tools and techniques for the discovery of therapeutic aptamers: recent advances	12
Designing drugs optimized for both blood–brain barrier permeation and intra-cerebral partition	12
Current views on in vivo models for breast cancer research and related drug development	12
Molecular glue degraders: exciting opportunities for novel drug discovery	12
Have spirocyclic scaffolds been properly utilized in recent drug discovery efforts?	12
Recent applications of artificial intelligence in RNA-targeted small molecule drug discovery	12
Novel anticancer drug discovery efforts targeting glycosylation: the emergence of fluorinated monosaccharides analogs	11
The SH-SY5Y cell line: a valuable tool for Parkinson’s disease drug discovery	11
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	11
The importance of preclinical models for cholangiocarcinoma drug discovery	11
Asymmetric organocatalysis in drug discovery and development for active pharmaceutical ingredients	11
New insights into the discovery of drugs for triple-negative breast cancer metastasis	11
Correction	11
Strategies for the drug discovery and development of taxane anticancer therapeutics	11
Targeting AGAT gene expression – a drug screening approach for the treatment of GAMT deficiency	10
Advances in protein kinase drug discovery through targeting gatekeeper mutations	10
The emerging potential of interactive virtual reality in drug discovery	10
Analysis of the SARS-CoV-2-host protein interaction network reveals new biology and drug candidates: focus on the spike surface glycoprotein and RNA polymerase	10
The state of the art of fetal hemoglobin-inducing agents	10
Advantages and disadvantages of mouse models of chronic lymphocytic leukemia in drug discovery	10
Validation guidelines for drug-target prediction methods	10
Discovery and design of G protein-coupled receptor targeting antibodies	9
Native mass spectrometry for proximity-inducing compounds: a new opportunity for studying chemical-induced protein modulation	9
On-demand modular assembly for expedited PROTAC development	9
Hydroquinine: a potential new avenue in drug discovery for drug-resistant bacteria?	9
What are the current challenges for machine learning in drug discovery and repurposing?	9
Knowledge graphs and their applications in drug discovery	9
Advances in nanotechnology-based platforms for survivin-targeted drug discovery	9
Bacterial synthetic biology: tools for novel drug discovery	9
Evolution of antisense oligonucleotides: navigating nucleic acid chemistry and delivery challenges	9
3D bioprinting for organ and organoid models and disease modeling	9
Benzofuran as a promising scaffold for the synthesis of novel antimicrobial agents	9
New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease	9
Targeting the adrenomedullin-2 receptor for the discovery and development of novel anti-cancer agents	9
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery	9
Development of a lower-sodium oxybate formulation for the treatment of patients with narcolepsy and idiopathic hypersomnia	8
The design and discovery of topoisomerase I inhibitors as anticancer therapies	8
The preclinical discovery and development of orelabrutinib as a novel treatment option for B-cell lymphoid malignancies	8
Using induced pluripotent stem cells for drug discovery in arrhythmias	8
Methods in marine natural product drug discovery: what’s new?	8
Long non-coding RNA-targeting therapeutics: discovery and development update	8
Innovative strategies for the discovery of new drugs against androgenetic alopecia	8
Understanding the role of cGAS-STING signaling in ischemic stroke: a new avenue for drug discovery	8
Vutrisiran: a new drug in the treatment landscape of hereditary transthyretin amyloid polyneuropathy	8
The reality of modeling irritable bowel syndrome: progress and challenges	8
Phage display technology and its impact in the discovery of novel protein-based drugs	8
Animal models of Kabuki syndrome and their applicability to novel drug discovery	7
How good are the current models of adrenocortical carcinoma for novel drug discovery?	7
Benford’s Law and distributions for better drug design	7
The potential of natural sources for pancreatic lipase inhibitors: a solution of the obesity crisis?	7
Animal models of systemic lupus erythematosus and their applications in drug discovery	7
An approach combining deep learning and molecule docking for drug discovery of cathepsin L	7
Machine learning-based prediction of drug approvals using molecular, physicochemical, clinical trial, and patent-related features	7
A comprehensive update on the use of molecular topology applications for anti-infective drug discovery	7
Guided structure-based ligand identification and design via artificial intelligence modeling	7
Calcium channel blockers’ contribution to overcoming Current drug discovery challenges in Alzheimer’s disease	7
Perspectives on the success of plasma lipidomics in cardiovascular drug discovery and future challenges	7
C. elegans : a prominent platform for modeling and drug screening in neurological disorders	7
Approaches for refining and furthering the development of CAR-based T cell therapies for solid malignancies	7
Advances in next-generation sequencing (NGS) applications in drug discovery and development	7
The Promising Therapeutic Potential of Oligonucleotides for Pulmonary Fibrotic Diseases	7
The preclinical discovery and development of secukinumab for the treatment of moderate-to-severe hidradenitis suppurativa	7
Lessons learnt from machine learning in early stages of drug discovery	7
Approaches for targeting the mycobactin biosynthesis pathway for novel anti-tubercular drug discovery: where we stand	7
What value do zebrafish have to anticancer drug discovery?	7
Applications of machine learning in microbial natural product drug discovery	7
Virtual screening: hope, hype, and the fine line in between	7

Challenges with the discovery of RNA-based therapeutics for flaviviruses	6
An update on preclinical pregnancy models of Zika virus infection for drug and vaccine discovery	6
Applications of graphene-based nanomaterials in drug design: The good, the bad and the ugly	6
Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern	6
How to address the complexity of multi-targeted drug discovery for Alzheimer’s disease?	6
Advances in the discovery and development of melanoma drug therapies	6
Radiosensitivity of rhesus nonhuman primates: consideration of sex, supportive care, body weight, and age at time of exposure	6
Assay development in leishmaniasis drug discovery: a comprehensive review	6
Advances in drug structure-activity-relationships for the development of selenium-based compounds against HIV	6
Hidden allosteric sites and De-Novo drug design	6
Linkers in fragment-based drug design: an overview of the literature	6
Potential Alzheimer’s disease drug targets identified through microglial biology research	6
Fragment-based approaches to discover ligands for tumor-specific E3 ligases	6
Successfully navigating the valley of death: the importance of accelerators to support academic drug discovery and development	6
Targeting guanine nucleotide exchange factors for novel cancer drug discovery	6
An update on nonhuman primate usage for drug and vaccine evaluation against filoviruses	6
What is the gold standard model for Alzheimer’s disease drug discovery and development?	6
Ultra-high-throughput mass spectrometry in drug discovery: fundamentals and recent advances	5
The piperazine scaffold for novel drug discovery efforts: the evidence to date	5
The rules often neglected in current medicinal chemistry	5
What is the current value of MM/PBSA and MM/GBSA methods in drug discovery?	5
Deep learning tools to accelerate antibiotic discovery	5
Bridging the gap between target-based and phenotypic-based drug discovery	5
The preclinical discovery and development of atogepant for migraine prophylaxis	5
Acoustic ejection mass spectrometry: fundamentals and applications in high-throughput drug discovery	5
Using automated patch clamp electrophysiology platforms in ion channel drug discovery: an industry perspective	5
A cautionary tale of paradox and false positives in cannabidiol research	5
Structure-activity relationships of Toxoplasma gondii cytochrome bc1 inhibitors	5
PROTAC antibiotics: the time is now	5
Application of transporter assays for drug discovery and development: an update of the literature	5
What are the challenges with multi-targeted drug design for complex diseases?	5
Data-centric challenges with the application and adoption of artificial intelligence for drug discovery	5
Open resources for chemical probes and their implications for future drug discovery	5
Molecular hybridization: a powerful tool for multitarget drug discovery	5
Applying network link prediction in drug discovery: an overview of the literature	5
Preclinical in vitro models of HNSCC and their role in drug discovery - an emphasis on the cancer microenvironment and microbiota	5
RNA-based drug discovery for spinal muscular atrophy: a story of small molecules and antisense oligonucleotides	5
The machine learning life cycle and the cloud: implications for drug discovery	5
Antimicrobial peptides: A plausible approach for COVID-19 treatment	5
Applications of fluorine to the construction of bioisosteric elements for the purposes of novel drug discovery	5
Artificial intelligence in drug discovery: recent advances and future perspectives	5
The ongoing challenge of slowing ageing through drug discovery	5
Reinforcement learning for systems pharmacology-oriented and personalized drug design	5
Novel strategies for targeting the thioredoxin system for cancer therapy	5
How can we accelerate COVID-19 vaccine discovery?	4
Novel hydrogels: are they poised to transform 3D cell-based assay systems in early drug discovery?	4
Development of environmentally biodegradable drugs: what are the key challenges?	4
How has artificial intelligence impacted COVID-19 drug repurposing and what lessons have we learned?	4
Leveraging nitrogen occurrence in approved drugs to identify structural patterns	4
Recent applications of positron emission tomographic (PET) imaging in psychiatric drug discovery	4
Drug design strategies that aim to improve the low solubility and poor bioavailability conundrum in quercetin derivatives	4
Optimizing assays of zebrafish larvae swimming performance for drug discovery	4
Human pluripotent stem cell (hPSC)-derived models for autism spectrum disorder drug discovery	4
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	4
Drugs targeting the particle for arrangement of quaternary structure (PAQosome) and protein complex assembly	4
An overview of ProTide technology and its implications to drug discovery	4
Is it possible to design a clinically viable heroin vaccine? The progress and pitfalls	4
What are the translational challenges associated with Chagas disease drug discovery?	4
An overview of the recent progress in Middle East Respiratory Syndrome Coronavirus (MERS-CoV) drug discovery	4
An update on the novel methods for the discovery of antiseizure and antiepileptogenic medications: where are we in 2024?	4
Chemoinformatic approaches for navigating large chemical spaces	4