OOIR: Observatory of International Research

Papers

(The TQCC of Expert Opinion on Drug Discovery is 11. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-11-01 to 2024-11-01.)

Article	Citations
Artificial intelligence in drug discovery: recent advances and future perspectives	194
What is the current value of MM/PBSA and MM/GBSA methods in drug discovery?	117
The importance of sulfur-containing motifs in drug design and discovery	105
Artificial intelligence, machine learning, and drug repurposing in cancer	86
Artificial intelligence in early drug discovery enabling precision medicine	62
How do we address neglected sulfur pharmacophores in drug discovery?	61
Strategies for targeting undruggable targets	52
An overview of rational design of mRNA-based therapeutics and vaccines	50
How necessary are animal models for modern drug discovery?	50
Knowledge graphs and their applications in drug discovery	47
An update on the importance of plasma protein binding in drug discovery and development	43
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	40
Discovery of CFTR modulators for the treatment of cystic fibrosis	40
Applications of fluorine to the construction of bioisosteric elements for the purposes of novel drug discovery	39
Assigning confidence to molecular property prediction	39
Electrophilic warheads in covalent drug discovery: an overview	38
Have molecular hybrids delivered effective anti-cancer treatments and what should future drug discovery focus on?	35
Frontiers of metal-coordinating drug design	34
Glycyrrhetinic acid: a promising scaffold for the discovery of anticancer agents	33
Critical assessment of AI in drug discovery	33
Evolution of the drug-target residence time model	32
Generative artificial intelligence empowers digital twins in drug discovery and clinical trials	32
Retinoic acid-related orphan receptor gamma t (RORγt) inverse agonists/antagonists for the treatment of inflammatory diseases – where are we presently?	31
Multi-objective optimization methods in novel drug design	30
The latest automated docking technologies for novel drug discovery	30

Select animal models of colitis and their value in predicting clinical efficacy of biological therapies in ulcerative colitis	30
Advances in biocatalytic and chemoenzymatic synthesis of nucleoside analogues	29
Is drug repurposing really the future of drug discovery or is new innovation truly the way forward?	28
Success stories of AI in drug discovery - where do things stand?	27
Future prospects for Antimicrobial peptide development: peptidomimetics and antimicrobial combinations	27
An overview of ProTide technology and its implications to drug discovery	27
An update on the emerging approaches for histone deacetylase (HDAC) inhibitor drug discovery and future perspectives	26
Computational approaches for the design of modulators targeting protein-protein interactions	25
The machine learning life cycle and the cloud: implications for drug discovery	24
Recent advances in proteolytic stability for peptide, protein, and antibody drug discovery	24
The discovery and development of oncolytic viruses: are they the future of cancer immunotherapy?	24
The design and discovery of phospholipase A₂ inhibitors for the treatment of inflammatory diseases	24
Approaches for the discovery of new cell-penetrating peptides	24
1,2,3,4-Tetrahydroisoquinoline (THIQ) as privileged scaffold for anticancer de novo drug design	23
Advances in venom peptide drug discovery: where are we at and where are we heading?	21
Advances in the discovery of novel agents for the treatment of glaucoma	21
Is PROTAC technology really a game changer for central nervous system drug discovery?	21
Can drug repurposing strategies be the solution to the COVID-19 crisis?	21
Metabolomics in antimicrobial drug discovery	20
The identification of farnesoid X receptor modulators as treatment options for nonalcoholic fatty liver disease	20
Terpyridines as promising antitumor agents: an overview of their discovery and development	20
The design and discovery of topoisomerase I inhibitors as anticancer therapies	20
Advances in mRNA-based drug discovery in cancer immunotherapy	19
Evolution of assay interference concepts in drug discovery	19
Inhibitors of the PLK1 polo-box domain: drug design strategies and therapeutic opportunities in cancer	19
What makes a good fragment in fragment-based drug discovery?	18
The discovery and development of transmembrane serine protease 2 (TMPRSS2) inhibitors as candidate drugs for the treatment of COVID-19	18
Recent in vivo advances of spirocyclic scaffolds for drug discovery	18
Molecular hybridization: a powerful tool for multitarget drug discovery	18
Recent trends in the development of Toll-like receptor 7/8-targeting therapeutics	18
Using 3D in vitro cell culture models in anti-cancer drug discovery	18
Acoustic ejection mass spectrometry: fundamentals and applications in high-throughput drug discovery	18
Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade	17
The discovery and development of IP3 receptor modulators: an update	17
Boswellic acids: privileged structures to develop lead compounds for anticancer drug discovery	17
Drug development post COVID-19 pandemic: toward a better system to meet current and future global health challenges	17
The potential of natural sources for pancreatic lipase inhibitors: a solution of the obesity crisis?	17
Novel strategies for the development of hand, foot, and mouth disease vaccines and antiviral therapies	16
Approaches for targeting the mycobactin biosynthesis pathway for novel anti-tubercular drug discovery: where we stand	16
How can we improve peptide drug discovery? Learning from the past	16
Current strategies for the discovery and bioconjugation of smaller, targetable drug conjugates tailored for solid tumor therapy	16
Promising strategies for improving oral bioavailability of poor water-soluble drugs	16
The challenges of generalizability in artificial intelligence for ADME/Tox endpoint and activity prediction	16
What are the challenges with multi-targeted drug design for complex diseases?	15
What are the current challenges for machine learning in drug discovery and repurposing?	15
Recent advances in quantitative structure–activity relationship models of antimalarial drugs	15
Advances in the discovery and development of melanoma drug therapies	15
A comprehensive update of siRNA delivery design strategies for targeted and effective gene silencing in gene therapy and other applications	15
Reinforcement learning for systems pharmacology-oriented and personalized drug design	15
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	14

Antimicrobial peptides: A plausible approach for COVID-19 treatment	14
An overview of the preclinical discovery and development of remdesivir for the treatment of coronavirus disease 2019 (COVID-19)	14
Advances in the discovery of new chemotypes through ultra-large library docking	14
Benzofuran as a promising scaffold for the synthesis of novel antimicrobial agents	14
Innovative screening models for the discovery of new schizophrenia drug therapies: an integrated approach	14
The emerging potential of interactive virtual reality in drug discovery	14
Approaches for enhancing the analysis of chemical space for drug discovery	13
Hidden allosteric sites and De-Novo drug design	13
Drug design strategies that aim to improve the low solubility and poor bioavailability conundrum in quercetin derivatives	13
The piperazine scaffold for novel drug discovery efforts: the evidence to date	13
How can we improve the design of small molecules to target thioredoxin reductase for treating cancer?	13
Overcoming multidrug resistance through targeting ABC transporters: lessons for drug discovery	13
What have we learnt from past failures in Alzheimer’s disease drug discovery?	12
Drug discovery through the isolation of natural products from Burkholderia	12
Identifying novel drugs with new modes of action for neglected tropical fungal skin diseases (fungal skinNTDs) using an Open Source Drug discovery approach	12
3D bioprinting for organ and organoid models and disease modeling	12
Novel approaches to targeted protein degradation technologies in drug discovery	12
Using deep neural networks to explore chemical space	12
Advances in nanotechnology-based platforms for survivin-targeted drug discovery	12
Computational representations of protein–ligand interfaces for structure-based virtual screening	11
Development of a lower-sodium oxybate formulation for the treatment of patients with narcolepsy and idiopathic hypersomnia	11
The preclinical discovery and development of molnupiravir for the treatment of SARS-CoV-2 (COVID-19)	11
Advances in the design of combination therapies for the treatment of tuberculosis	11
Asymmetric organocatalysis in drug discovery and development for active pharmaceutical ingredients	11
Discovery of RNA-targeted small molecules through the merging of experimental and computational technologies	11
The prediction of protein–ligand unbinding for modern drug discovery	11
Challenges faced in developing an ideal chronic wound model	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
Accelerating Alzheimer’s disease drug discovery and development: what’s the way forward?	11
Preclinical discovery and development of adalimumab for the treatment of rheumatoid arthritis	11