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Using automated patch clamp electrophysiology platforms in ion channel drug discovery: an industry perspective Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-03-13 Marc Rogers, Alison Obergrussberger, Artem Kondratskyi, Niels Fertig
Automated patch clamp (APC) is now well established as a mature technology for ion channel drug discovery in academia, biotech and pharma companies, and in contract research organizations (CRO), fo...
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Molecular hybridization: a powerful tool for multitarget drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-03-08 Pedro de Sena Murteira Pinheiro, Lucas Silva Franco, Tadeu Lima Montagnoli, Carlos Alberto Manssour Fraga
The current drug discovery paradigm of ‘one drug, multiple targets’ has gained attention from both the academic medicinal chemistry community and the pharmaceutical industry. This is in response to...
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The preclinical discovery and clinical evaluation of tirzepatide for the treatment of type 2 diabetes Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-03-05 Ioannis Avgerinos, Panagiota Kakotrichi, Thomas Karagiannis, Eleni Bekiari, Apostolos Tsapas
Despite numerous antidiabetic medications available for the treatment of type 2 diabetes, a substantial percentage of patients fail to achieve optimal glycemic control. Furthermore, the escalating ...
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Stroke genetics and how it Informs novel drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-03-04 Julija Valančienė, Kazimieras Melaika, Aleksandra Šliachtenko, Kamilė Šiaurytė-Jurgelėnė, Aleksandra Ekkert, Dalius Jatužis
Stroke is one of the main causes of death and disability worldwide. Nevertheless, despite the global burden of this disease, our understanding is limited and there is still a lack of highly efficie...
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Designing inhaled small molecule drugs for severe respiratory diseases: an overview of the challenges and opportunities Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-26 Cornelia H Rinderknecht, Miaoran Ning, Connie Wu, Mark S Wilson, Christian Gampe
Inhaled drugs offer advantages for the treatment of respiratory diseases over oral drugs by delivering the drug directly to the lung, thus improving the therapeutic index. There is an unmet medical...
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Identification of the abnormalities in astrocytic functions as potential drug targets for neurodegenerative disease Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-26 Valtteri Syvänen, Jari Koistinaho, Šárka Lehtonen
Historically, astrocytes were seen primarily as a supportive cell population within the brain; with neurodegenerative disease research focusing exclusively on malfunctioning neurons. However, astro...
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In silico drug design strategies for discovering novel tuberculosis therapeutics Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-19 Christian S. Carnero Canales, Aline Renata Pavan, Jean Leandro dos Santos, Fernando Rogério Pavan
Tuberculosis remains a significant concern in global public health due to its intricate biology and propensity for developing antibiotic resistance. Discovering new drugs is a protracted and expens...
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The preclinical discovery and clinical development of ciltacabtagene autoleucel (Cilta-cel) for the treatment of multiple myeloma Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-18 Irene Strassl, Klaus Podar
Despite remarkable therapeutic advances over the last two decades, which have resulted in dramatic improvements in patient survival, multiple myeloma (MM) is still considered an incurable disease. ...
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What value do zebrafish have to anticancer drug discovery? Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-07 Boyuan Xiao, Esther Landesman-Bollag, Hui Feng
Published in Expert Opinion on Drug Discovery (Ahead of Print, 2024)
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Recent applications of artificial intelligence in RNA-targeted small molecule drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-06 Ella Czarina Morishita, Shingo Nakamura
Targeting RNAs with small molecules offers an alternative to the conventional protein-targeted drug discovery and can potentially address unmet and emerging medical needs. The recent rise of intere...
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Chemoinformatic approaches for navigating large chemical spaces. Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 Martin Vogt
Large chemical spaces (CSs) include traditional large compound collections, combinatorial libraries covering billions to trillions of molecules, DNA-encoded chemical libraries comprising complete c...
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The problem of antimalarial resistance and its implications for drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 Thomas Martin Schäfer, Lais Pessanha de Carvalho, Juliana Inoue, Andrea Kreidenweiss, Jana Held
Malaria remains a devastating infectious disease with hundreds of thousands of casualties each year. Antimalarial drug resistance has been a threat to malaria control and elimination for many decad...
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Current views on in vivo models for breast cancer research and related drug development Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 Tiago Ferreira, Tiago Azevedo, Jessica Silva, Ana I. Faustino-Rocha, Paula A. Oliveira
Animal models play a crucial role in breast cancer research, in particular mice and rats, who develop mammary tumors that closely resemble their human counterparts. These models allow the study of ...
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Advances in drug structure-activity-relationships for the development of selenium-based compounds against HIV Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 Dazhou Shi, Shujing Xu, Dang Ding, Kai Tang, Yang Zhou, Xiangyi Jiang, Shuo Wang, Xinyong Liu, Peng Zhan
Selenium possesses numerous advantageous properties in the field of medicine, and a variety of selenium-containing compounds have been documented to exhibit anti-HIV activity. This paper aims to ca...
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Successfully navigating the valley of death: the importance of accelerators to support academic drug discovery and development Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 Maaike Everts, Mark Drew
The drug discovery and development ‘valley of death’ remains a challenge for promising new therapies originating from academic research laboratories. Drug discovery support centers and accelerators...
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Evaluating physiochemical properties of FDA-approved orally administered drugs Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 Tanner C. Reese, Anvita Devineni, Tristan Smith, Ismail Lalami, Jung-Mo Ahn, Ganesh V. Raj
Analyses of orally administered FDA-approved drugs from 1990 to 1993 enabled the identification of a set of physiochemical properties known as Lipinski’s Rule of Five (Ro5). The original Ro5 and ex...
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Recent applications of positron emission tomographic (PET) imaging in psychiatric drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 Luc Zimmer
Psychiatry is one of the medical disciplines that suffers most from a lack of innovation in its therapeutic arsenal. Many failures in drug candidate trials can be explained by pharmacological prope...
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Current strategic trends in drug discovery: the present as prologue Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 David R. Janero
Escalating costs and inherent uncertainties associated with drug discovery invite initiatives to improve its efficiency and de-risk campaigns for inventing better therapeutics. One such initiative ...
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Benford’s Law and distributions for better drug design Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 Alfonso T. García-Sosa
Modern drug discovery incorporates various tools and data, heralding the beginning of the data-driven drug design (DD) era. The distributions of chemical and physical data used for Artificial Intel...
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Advancements in the use of xenopus oocytes for modelling neurological disease for novel drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-02-01 Eoin C O’Connor, Kumiko Kambara, Daniel Bertrand
Introduced about 50 years ago, the model of Xenopus oocytes for the expression of recombinant proteins has gained a broad spectrum of applications. The authors herein review the benefits brought fr...
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Vutrisiran: a new drug in the treatment landscape of hereditary transthyretin amyloid polyneuropathy Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-27 Violaine Planté-Bordeneuve, Valentine Perrain
Hereditary transthyretin (ATTRv) amyloidosis is a progressive, fatal disorder caused by mutations in the transthyretin (TTR) gene leading to deposition of the misfolded protein in amyloid fibrils. ...
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Advances in structure-activity relationships of HDAC inhibitors as HIV latency-reversing agents Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-23 Samima Khatun, Sk. Abdul Amin, Debasmita Choudhury, Boby Chowdhury, Tarun Jha, Shovanlal Gayen
HIV-infected cells may rebound due to the existence of the silent HIV-infected memory CD4+ T cells (HIV latency). This HIV latency makes the disease almost incurable. In latency, the integrated pro...
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Molecular glue degraders: exciting opportunities for novel drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-19 Thomas Lemaitre, Marie Cornu, Florian Schwalen, Marc Since, Charline Kieffer, Anne Sophie Voisin-Chiret
Molecular Glue Degraders (MGDs) is a concept that refers to a class of compounds that facilitate the interaction between two proteins or molecules within a cell. These compounds act as bridge that ...
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Have spirocyclic scaffolds been properly utilized in recent drug discovery efforts? Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-18 Erica Benedetti, Laurent Micouin
Published in Expert Opinion on Drug Discovery (Vol. 19, No. 3, 2024)
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What is the future of click chemistry in drug discovery and development? Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-12 Ana C. Amorim, Anthony J. Burke
The concept of click chemistry was introduced in 2001 as an effective, efficient, and sustainable approach to making functional groups harnessing the thermodynamic properties of a set of known chem...
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Artificial intelligence pushes the boundaries of behavioral analysis in drug discovery: a revolution from the deep Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Kurt Leroy Hoffman
Published in Expert Opinion on Drug Discovery (Vol. 19, No. 1, 2024)
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In vitro screening technologies for the discovery and development of novel drugs against Toxoplasma gondii Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Joachim Müller, Andrew Hemphill
Toxoplasmosis constitutes a challenge for public health, animal production and welfare. Since more than 60 years, only a limited panel of drugs has been in use for clinical applications.Herein, the...
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γ-Secretase: once and future drug target for Alzheimer’s disease Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Michael S. Wolfe
Published in Expert Opinion on Drug Discovery (Vol. 19, No. 1, 2024)
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Generative artificial intelligence empowers digital twins in drug discovery and clinical trials Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Maria Bordukova, Nikita Makarov, Raul Rodriguez-Esteban, Fabian Schmich, Michael P. Menden
The concept of Digital Twins (DTs) translated to drug development and clinical trials describes virtual representations of systems of various complexities, ranging from individual cells to entire h...
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Drugs targeting the particle for arrangement of quaternary structure (PAQosome) and protein complex assembly Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Maxime Pinard, Asmae Moursli, Benoit Coulombe
The PAQosome is a 12-subunit complex that acts as a co-factor of the molecular chaperones HSP90 and HSP70. This co-chaperone has been shown to participate in assembly and maturation of several prot...
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Lessons learnt from the preclinical discovery and development of ensitrelvir as a COVID-19 therapeutic option Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Sara Ferraro, Irma Convertino, Emiliano Cappello, Giulia Valdiserra, Marco Bonaso, Marco Tuccori
The COVID-19 pandemic stimulated the development of several therapeutic tools with several degrees of success. Ensitrelvir, a protease inhibitor that blocks the replication of SARS-CoV-2, can reduc...
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Calcium channel blockers’ contribution to overcoming Current drug discovery challenges in Alzheimer’s disease Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Paul J Bernard, Djamila Bellili, Lhassane Ismaili
Alzheimer’s disease (AD) is a progressive, irreversible, and multifactorial brain disorder that gradually and insidiously destroys individual’s memory, thinking, and other cognitive abilities.In th...
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Current advances in the use of bioluminescence assays for drug discovery: an update of the last ten years Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Maria Maddalena Calabretta, Elisa Michelini
Bioluminescence is a well-established optical detection technique widely used in several bioanalytical applications, including high-throughput and high-content screenings. Thanks to advances in syn...
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Leveraging nitrogen occurrence in approved drugs to identify structural patterns Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Vijay H. Masand, Sami Al-Hussain, Abdullah Y. Alzahrani, Nahed N. E. El-Sayed, Chien Ing Yeo, Yee Seng Tan, Magdi E.A. Zaki
The process of drug development and discovery is costly and slow. Although an understanding of molecular design principles and biochemical processes has progressed, it is essential to minimize synt...
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The application of WaterMap-guided structure-based virtual screening in novel drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Agnieszka A. Kaczor, Agata Zięba, Dariusz Matosiuk
Nowadays, it is widely accepted that water molecules play a key role in binding a ligand to a molecular target. Neglecting water molecules in the process of molecular recognition was the result of ...
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Applying network link prediction in drug discovery: an overview of the literature Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2024-01-08 Jeongtae Son, Dongsup Kim
Network representation can give a holistic view of relationships for biomedical entities through network topology. Link prediction estimates the probability of link formation between the pair of un...
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Designing drugs optimized for both blood–brain barrier permeation and intra-cerebral partition Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-12-25 Maria Dichiara, Giuseppe Cosentino, Giorgia Giordano, Lorella Pasquinucci, Agostino Marrazzo, Giuliana Costanzo, Emanuele Amata
With the increasing incidence and prevalence of neurological disorders globally, there is a paramount need for new pharmacotherapies. BBB effectively protects the brain but raises a profound challe...
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Vascular organs-on-chip made with patient-derived endothelial cells: technologies to transform drug discovery and disease modeling Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-12-20 Chloe P Whitworth, William J Polacheck
Vascular diseases impart a tremendous burden on healthcare systems in the United States and across the world. Efforts to improve therapeutic interventions are hindered by limitations of current exp...
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The SH-SY5Y cell line: a valuable tool for Parkinson’s disease drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-12-19 Manisha Pandey, Varnita Karmakar, Ankit Majie, Monika Dwivedi, Shadab Md, Bapi Gorain
Owing to limited efficient treatment strategies for highly prevalent and distressing Parkinson’s disease (PD), an impending need emerged for deciphering new modes and mechanisms for effective manag...
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Ultra-high-throughput mass spectrometry in drug discovery: fundamentals and recent advances Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-12-19 Jon D. Williams, Fan Pu, James W. Sawicki, Nathaniel L. Elsen
Ultra-high-throughput mass spectrometry, uHT-MS, is a technology that utilizes ionization and sample delivery technologies optimized to enable sampling from well plates at > 1 sample per second. Th...
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Advances in ion channel high throughput screening: where are we in 2023? Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-12-18 Mark L Dallas, Damian Bell
Automated Patch Clamp (APC) technology has become an integral element in ion channel research, drug discovery and development pipelines to overcome the use of the highly time-consuming manual patch...
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Perspectives on the success of plasma lipidomics in cardiovascular drug discovery and future challenges Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-12-12 Timothy Abrahams, Stephen J. Nicholls
Plasma lipidomics has emerged as a powerful tool in cardiovascular drug discovery by providing insights into disease mechanisms, identifying potential biomarkers for diagnosis and prognosis, and di...
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Will the hype of automated drug discovery finally be realized? Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-12-11 Wenqiang Cui, Shuguang Yuan
Published in Expert Opinion on Drug Discovery (Vol. 19, No. 3, 2024)
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How can we unlock the full potential of marine biological resources for novel drug discovery in an effective and ethical way? Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-11-23 Hidayat Hussain
Published in Expert Opinion on Drug Discovery (Vol. 19, No. 2, 2024)
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The vinyl sulfone motif as a structural unit for novel drug design and discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-11-18 You-Cai Xiao, Fen-Er Chen
Vinyl sulfones are a special sulfur-containing structural unit that have attracted considerable attention, owing to their important role in serving as key structural motifs of various biologically ...
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Advances in the discovery of heterocyclic-based drugs against Alzheimer’s disease Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-11-01 Juan D. Sánchez, Andrés R. Alcántara, Juan F. González, José María Sánchez-Montero
Alzheimer’s disease is a multifactorial neurodegenerative disorder characterized by beta-amyloid accumulation and tau protein hyperphosphorylation. The disease involves interconnected mechanisms, w...
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15 Years of molecular simulation of drug-binding kinetics Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-11-01 Chung F. Wong
Drug-binding kinetics has been increasingly recognized as an important factor to be considered in drug discovery. Long residence time could prolong the action of some drugs while produce toxicity o...
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Advances in protein kinase drug discovery through targeting gatekeeper mutations Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-11-01 Jing Guo, Yang Zhou, Xiaoyun Lu
Acquired resistance caused by gatekeeper mutations has become a major challenge for approved kinase inhibitors used in the clinic. Consequently, the development of new-generation inhibitors or degr...
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Tools and techniques for the discovery of therapeutic aptamers: recent advances Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-11-01 Lili Ai, Xinyi Jiang, Kejing Zhang, Cheng Cui, Bo Liu, Weihong Tan
The pursuit of novel therapeutic agents for serious diseases such as cancer has been a global endeavor. Aptamers characteristic of high affinity, programmability, low immunogenicity, and rapid perm...
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Deep learning tools to accelerate antibiotic discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-10-18 Angela Cesaro, Mojtaba Bagheri, Marcelo Torres, Fangping Wan, Cesar de la Fuente-Nunez
As machine learning (ML) and artificial intelligence (AI) expand to many segments of our society, they are increasingly being used for drug discovery. Recent deep learning models offer an efficient...
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Integrating Liver-Chip data into pharmaceutical decision-making processes Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-09-12 Daniel Levner, Lorna Ewart
Drug-induced liver injury (DILI) is a potentially lethal condition that heavily impacts the pharmaceutical industry, causing approximately 21% of drug withdrawals and 13% of clinical trial failures...
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Mapping strategies towards improved external validity in preclinical translational research Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-09-10 Clarissa F. D. Carneiro, Natascha Drude, Maren Hülsemann, Anja Collazo, Ulf Toelch
Translation is about successfully bringing findings from preclinical contexts into the clinic. This transfer is challenging as clinical trials frequently fail despite positive preclinical results. ...
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Molecular simulations required to target novel and potent inhibitors of cancer invasion Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-09-07 Tian Lu, Tong Li, Meng-Ke Wu, Chi-Chong Zheng, Xue-Mei He, Hai-Liang Zhu, Li Li, Ruo-Jun Man
Computer-aided drug design (CADD) is a computational approach used to discover, develop, and analyze drugs and active molecules with similar biochemical properties. Molecular simulation technology ...
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Applications of graphene-based nanomaterials in drug design: The good, the bad and the ugly Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-09-04 Zhengfeng Gao, Siyao Qin, Cécilia Ménard-Moyon, Alberto Bianco
Graphene-based materials (GBMs) have unique physicochemical properties that make them extremely attractive as platforms for the design of new drugs. Indeed, their bidimensional (2D) morphology, hig...
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New frontiers in the design and discovery of therapeutics that target calcium ion signaling: a novel approach in the fight against cancer Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-09-01 Jyoti Singh, Abha Meena, Suaib Luqman
The Ca2+ signaling toolkit is currently under investigation as a potential target for addressing the threat of cancer. A growing body of evidence suggests that calcium signaling plays a crucial rol...
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Applications of machine learning in microbial natural product drug discovery Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-08-31 Autumn Arnold, Jeremie Alexander, Gary Liu, Jonathan M. Stokes
Natural products (NPs) are a desirable source of new therapeutics due to their structural diversity and evolutionarily optimized bioactivities. NPs and their derivatives account for roughly 70% of ...
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Optimizing drug discovery using multitasking models for quantitative structure–biological effect relationships: an update of the literature Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-08-28 Valeria V. Kleandrova, M. Natália D. S. Cordeiro, Alejandro Speck-Planche
Drug discovery has provided modern societies with the means to fight against many diseases. In this sense, computational methods have been at the forefront, playing an important role in rationalizi...
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Preclinical discovery and development of nirmatrelvir/ritonavir combinational therapy for the treatment of COVID-19 and the lessons learned from SARS-COV-2 variants Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-08-23 Pasquale Pagliano, Annamaria Spera, Carmine Sellitto, Giuliana Scarpati, Veronica Folliero, Ornella Piazza, Gianluigi Franci, Valeria Conti, Tiziana Ascione
Nirmatrelvir/ritonavir (Paxlovid®) represent an oral antiviral therapy approved for the treatment of COVID-19. Extensive in vitro and in vivo studies have reported the promising activity of nirmatr...
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Exploring the current use of animal models in glaucoma drug discovery: where are we in 2023? Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-08-22 Renu Agarwal, Puneet Agarwal, Igor Iezhitsa
Animal models are widely used in glaucoma-related research. Since the elevated intraocular pressure (IOP) is a major risk factor underlying the disease pathogenesis, animal models with high IOP are...
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The current role and evolution of X-ray crystallography in drug discovery and development Expert Opin. Drug Discov. (IF 6.3) Pub Date : 2023-08-17 Vanessa Bijak, Michal Szczygiel, Joanna Lenkiewicz, Michal Gucwa, David R. Cooper, Krzysztof Murzyn, Wladek Minor
Macromolecular X-ray crystallography and cryo-EM are currently the primary techniques used to determine the three-dimensional structures of proteins, nucleic acids, and viruses. Structural informat...