Targeting cryptic allosteric sites of G protein-coupled receptors as a novel strategy for biased drug discovery by Xin Qiao, Xiaolong Li, Mingyang Zhang, Ning Liu, Yanmei Wu, Shaoyong Lu, Ting Chen

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Towards New Scaffolds for Antimicrobial Activity—In Silico/In Vitro Workflow Introducing New Lead Compounds by Maria Mangana, George Lambrinidis, Ioannis K. Kostakis, Ioanna Kalpaktsi, Marina Sagnou, Chrysoula Nicolaou, Emmanuel Mikros, Stylianos Chatzipanagiotou, Anastasios Ioannidis

Subjects: “…ligand-based drug design…”
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Synthesis and photodegradation studies of analogues of muscle relaxant 1,4-dihydropyridine compounds by Gündüz Miyase Gözde, Ragno Gaetano, Şimşek Rahime, De Luca Michele, Şafak Cihat, Grande Fedora, El-Khouly Ahmed, İşli Fatma, Yildirim Şeniz, Öztürk Fincan Gökçe Sevim, Ioele Giuseppina

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Fragmenstein: predicting protein–ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding–based methodology by Matteo P. Ferla, Rubén Sánchez-García, Rachael E. Skyner, Stefan Gahbauer, Jenny C. Taylor, Frank von Delft, Brian D. Marsden, Charlotte M. Deane

Subjects: “…Fragment-based drug design…”
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Machine Learning-Assisted Drug Repurposing Framework for Discovery of Aurora Kinase B Inhibitors by George Nicolae Daniel Ion, George Mihai Nitulescu, Dragos Paul Mihai

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Influenza A virus hemagglutinin: from classical fusion inhibitors to proteolysis targeting chimera-based strategies in antiviral drug discovery by Francisco Javier Hermoso-Pinilla, Aitor Valdivia, María-José Camarasa, Tiziana Ginex, Francisco Javier Luque

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Multilevel Precision-Based Rational Design of Chemical Inhibitors Targeting the Hydrophobic Cleft of Apical Membrane Antigen 1 (AMA1) by Umashankar Vetrivel, Shalini Muralikumar, B Mahalakshmi, K Lily Therese, HN Madhavan, Mohamed Alameen, Indhuja Thirumudi

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Identification of natural compound inhibitors for substrate-binding site of MTHFD2 enzyme: Insights from structure-based drug design and biomolecular simulations by Nisarg Rana, Priyanka Solanki, Rukmankesh Mehra, Anu Manhas

Subjects: “…Structure-based drug design…”
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New strategies to enhance the efficiency and precision of drug discovery by Qi An, Liang Huang, Chuan Wang, Dongmei Wang, Yalan Tu

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A computational chemistry-based approach to optimizing PD-1/PD-L1 inhibitors by Meijuan Zhai, Shiliang Ji, Haoran Hu, Yongjie Wu, Yi Shi, Ruifang Zhu, Yiguo Jiang, Yang Yang

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Hybrid Quantum Cycle Generative Adversarial Network for Small Molecule Generation by Matvei Anoshin, Asel Sagingalieva, Christopher Mansell, Dmitry Zhiganov, Vishal Shete, Markus Pflitsch, Alexey Melnikov

Subjects: “…Drug design…”
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Surface Enhanced Raman Spectroscopy of Proteins: Implications in Drug Designing by Soumik Siddhanta, Chandrabhas Narayana

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Quantifying hope: an EU perspective of rare disease therapeutic space and market dynamics by Emmanuelle Cacoub, Emmanuelle Cacoub, Nathalie Barreto Lefebvre, Dimitrije Milunov, Manish Sarkar, Soham Saha

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