Structural bioinformatics for rational drug design by Soroush Mozaffari, Agnethe Moen, Che Yee Ng, Gerry A.F. Nicolaes, Kanin Wichapong

“…This review explores the state of the art in computational drug discovery, examining the latest methods and technologies, their transformative impact on the drug development pipeline, and the future directions needed to overcome remaining limitations. …”
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Chemical Constituents of the Bark of Zanthoxylum gilletii (Rutaceae) and Their In Vitro Antiplasmodial and Molecular Docking Studies by Liliane Clotilde Dzouemo, Gervais Mouthé Happi, Sikiru Akinyeye Ahmed, Willifred Dongmo Tekapi Tsopgni, Michael Nde Akuma, Shina Salau, Emmanuel Ngeufa Happi, Jean Duplex Wansi

“…The present study provides further information to enrich the chemistry of Z. gilletii and its qualification as an important source for good candidates in new antiplasmodial drug development.…”
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Corrigendum: First-in-human phase 1 dose-escalation results with livmoniplimab, an antibody targeting the GARP: TGF-ß1 complex, as monotherapy and in combination with the anti–PD-1... by Toshio Shimizu, Toshio Shimizu, John Powderly, Albiruni Abdul Razak, Patricia LoRusso, Kathy D. Miller, Steven Kao, Sarah Kongpachith, Catherine Tribouley, Michelle Graham, Brian Stoll, Maulik Patel, Mohammad Sahtout, Martha Blaney, Rachel Leibman, Talia Golan, Talia Golan, Anthony Tolcher

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Antiviral activity of natural compounds extracted from Mediterranean medicinal plants against SARS-CoV-2 by Stephanie Ghio, Jean-Pierre Brincat, Yuksel Cetin, Frederick Lia

“… Spices and Mediterranean medicinal plants provide a rich resource for novel antiviral drug development. The outbreak of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) led to a pandemic with devastating outcomes, and hence, there is a global need to search for small-molecule inhibitors that can act against this viral pathogen. …”
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Development of an mPBPK machine learning framework for early target pharmacology assessment of biotherapeutics by Krutika Patidar, Nikhil Pillai, Saroj Dhakal, Lindsay B. Avery, Panteleimon D. Mavroudis

“…By unraveling new design rules for antibody drug properties that are dependent on ML-based TO assessment, we deliver a first-in-class ML-based target pharmacology assessment framework toward better understanding of the biology-specific PK and ADME processes of antibody drug candidate proteins and reduce the overall time for drug development.…”
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In-situ biophysical characterization of high-concentration protein formulations using wNMR by Jing Song, Marc Taraban, Y. Bruce Yu, Lynn Lu, Pallavi Guha Biswas, Wei Xu, Hanmi Xi, Akhilesh Bhambhani, Guangli Hu, Yongchao Su

“…The application of wNMR represents a promising approach for in situ noninvasive analysis of high-concentration protein formulations directly in their primary containers, providing valuable insights for drug development and quality assessment.…”
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Tumor mutational burden quantification from targeted gene panels: major advancements and challenges by Sara Gandini, Laura Fancello, Pier Giuseppe Pelicci, Luca Mazzarella

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Epigenetic Properties of Compounds Contained in Functional Foods Against Cancer by Giulia Casari, Brenda Romaldi, Andrea Scirè, Cristina Minnelli, Daniela Marzioni, Gianna Ferretti, Tatiana Armeni

“…The goal is to identify new therapeutic epigenetic targets for drug development, whether as stand-alone treatments or in combination with conventional antitumor approaches.…”
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TMPRSS2 as a Key Player in Viral Pathogenesis: Influenza and Coronaviruses by Gilmara Barros de Lima, Everton Nencioni, Fábio Thimoteo, Camila Perea, Rafaela Fuzaro Alves Pinto, Sergio Daishi Sasaki

“…Beyond infectious diseases, TMPRSS2 has also been linked to some cancers, suggesting it could be a valuable target for drug development. This review provides a summary of TMPRSS2 inhibitors currently under study, with some already in clinical trials to test their effectiveness against viral infections. …”
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Crystallographic and computational characterization and in silico target fishing of six aromatic and aliphatic sulfonamide derivatives by Anh Van Nguyen, Anh Thi Ngoc Vu, Andrey N. Utenyshev, Valeriy Tkachev, Nadezhda Polyanskaya, Dmitriy Shchevnikov, Magrarita Vasil’eva, Hieu Tran-Trung, Xuan Ha Nguyen, Olga V. Kovalchukova

“…Consequently, these compounds may serve as promising lead-like molecules for drug development targeting protozoan infections.…”
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Phytochemical composition, phytotoxicity, and ADME modeling of Artemisia absinthium L.: implications for food safety and pharmaceutical applications by Asmae Hbika, Ayoub Farihi, Mohammed Benali, Fatima-Zahrae Ed-darraz, Abdelhamid Bouyanzer, Mohammed F. Hawwal, Ramzi A. Mothana, Elkhadir Gharibi

“…ADME modeling indicating that 8-methoxyflavone, a major component in the dichloromethane extract, is a promising candidate for drug development targeting the central nervous system.…”
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A computational tool to infer enzyme activity using post-translational modification profiling data by Dehui Kong, Aijun Zhang, Ling Li, Zuo-Fei Yuan, Yingxue Fu, Long Wu, Ashutosh Mishra, Anthony A. High, Junmin Peng, Xusheng Wang

“…Collectively, JUMPsem provides an improved tool for inferring protein enzyme activities, potentially facilitating targeted drug development.…”
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Emerging PPARγ-Independent Role of PPARγ Ligands in Lung Diseases by Ajit A. Kulkarni, Collynn F. Woeller, Thomas H. Thatcher, Sesquile Ramon, Richard P. Phipps, Patricia J. Sime

“…These PPARγ-independent mechanisms are of significant interest because they suggest new therapeutic uses for currently approved drugs and because they can be used as probes to identify novel proteins and pathways involved in the pathogenesis or treatment of disease, which can then be targeted for further investigation and drug development.…”
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Expanding the structural resolution of glycosylation microheterogeneity in therapeutic proteins by salt-free hydrophilic interaction liquid chromatography tandem mass spectrometry by Yutian Gan, Steffen Lippold, John Stobaugh, Christian Schöneich, Feng Yang

“…Therefore, it is important to identify and quantify glycans during drug development. Glycosylation is a highly complex post-translational modification (PTM) due to its structural heterogeneity, i.e. glycosylation site occupancy, glycan compositions, modifications, and isomers. …”
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Navigating Recent Changes in Dosing Information: Dynamics of FDA‐Approved Monoclonal Antibodies in Post‐Marketing Realities by Nai Lee, Su‐jin Rhee, Seong Min Koo, So Won Kim, Gyo Eun Lee, Yoon A Yie, Yun Kim

“…We also discuss the role of model‐informed drug development, real‐world evidence, and pharmacogenomics in refining mAb dosing strategies. …”
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Rapid Screening and Estimation of Binding Constants for Interactions of Fe3+ with Two Metalloproteins, Apotransferrin and Transferrin, Using Affinity Mode of Capillary Electrophore... by Mohammed Al Bratty, Hassan A. Alhazmi, Sadique A. Javed, Zia Ur Rehman, Asim Najmi, Karam A. El-Sharkawy

“…The present study may be used as a reference for the investigation of protein-metal ion, drug-protein, drug-metal ion, and enzyme-metal ion interactions and may be helpful to provide preliminary insight into the new metal-based drug development.…”
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A patient-derived HCC spheroid system to model the tumor microenvironment and treatment response by Emilie Crouchet, Nuno Almeida, Sarah C. Durand, Marie Parnot, Marine A. Oudot, Fabio Giannone, Cloé Gadenne, Natascha Roehlen, Antonio Saviano, Emanuele Felli, Patrick Pessaux, Hong Tuan Duong, Hideki Ohdan, Hiroshi Aikata, Kazuaki Chayama, Thomas F. Baumert, Catherine Schuster

“…The application of the patient-derived tumor spheroids combined with other HCC models will likely contribute to drug development and to improve the outcome of patients with HCC.…”
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Molecular Phylogeny and Morphology Reveal Four New Species of <i>Conocybe</i> (Bolbitiaceae, Agaricales) from the Qinghai-Xizang Plateau, China by Xi-Xi Han, Dorji Phurbu, Bin Cao, Jia-Xin Li, Xin-Yu Zhu, Lin-Hui Liu, Naritsada Thongklang, Kevin D. Hyde, Rui-Lin Zhao

“…Some species within the <i>Conocybe</i>, containing secondary metabolites such as psilocybin, phallotoxins, and amatoxins, have potential medicinal value for treating psychiatric disorders and for use in drug development. This study investigates <i>Conocybe</i> (Bolbitiaceae, Agaricales) on the Plateau, based on specimens collected over the past decade, using morphological and molecular phylogenetic analyses. …”
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A current review on animal models of anti-asthmatic drugs screening by Shivam Singh, Sunita Kularia, Shivakshi Shukla, Mithilesh Singh, Manish Kumar, Ashish Kumar Sharma

“…By critically evaluating these models, the review emphasises their importance in directing anti-asthmatic drug development and highlights the urgent need for innovation to bridge the gap between preclinical success and clinical efficacy.…”
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Modular access to saturated bioisosteres of anilines via photoelectrochemical decarboxylative C(sp3)–N coupling by Kang-Ning Yuan, Hongjun Zhuang, Jie Wei, Yu Shen, Hong-Qing Yao, Ming-Hong Li, Lin-Lin Xu, Ming Shang

“…Abstract In drug development, the substitution of benzene rings in aniline-based drug candidates with saturated bridged bicyclic ring systems often enhances pharmacokinetic properties while preserving biological activity. …”
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