A Simple Machine Learning-Based Quantitative Structure–Activity Relationship Model for Predicting pIC₅₀ Inhibition Values of FLT3 Tyrosine Kinase by Jackson J. Alcázar, Ignacio Sánchez, Cristian Merino, Bruno Monasterio, Gaspar Sajuria, Diego Miranda, Felipe Díaz, Paola R. Campodónico

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Defining candidate drug characteristics for Long-QT (LQT3) syndrome by Aslak Tveito, Glenn T. Lines, Pan Li, Andrew McCulloch

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2-Aminothiophene Derivatives—New Drug Candidates Against Leishmaniasis: Drug Design, Synthesis, Pharmacomodulation, and Antileishmanial Activity by Rodrigo Santos Aquino de Araújo, Vitória Gaspar Bernardo, Robert da Silva Tibúrcio, Danilo Cesar Galindo Bedor, Michel Leandro de Campos, Roberto Pontarolo, Julyanne Maria Saraiva de Sousa, Klinger Antonio da Franca Rodrigues, Marcus Tullius Scotti, Anuraj Nayarisseri, Pascal Marchand, Francisco Jaime Bezerra Mendonça-Junior

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Bioinformatics exploration of identified garlic-derived antimicrobial peptides: a food-based approach to quorum sensing inhibition in foodborne pathogens by Mahmoud Dahab, Mohammed Aladhadh

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Neuropharmacological profile of new thiazepinone and thiazolidinone compounds designed by virtual screening by Juan Sebastian Carrero-Sandoval, Paola Andrea Cuervo-Prado, Fabian Orozco-Lopez, Christian Alonso Becerra-Rivas, Estefany Arias-Quiroz, Mario Francisco Guerrero-Pabón

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Design of a new class of broad-spectrum therapeutics targeted to drug-resistant bacteria by Amrutha Surendran, Agnes Turnbull, Allen Flockhart, Fern Findlay-Greene, Martyna Nowosielska, Donald Morrison, David J. Mincher, Samantha Donnellan

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Ezetimibe Anticancer Activity via the p53/Mdm2 Pathway by Charmy Twala, Sibusiso Malindisa, Chamone Munnik, Selisha Sooklal, Monde Ntwasa

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Dual targeting carbonic anhydrase inhibitors as promising therapeutic approach: a structural overview by Katia D’Ambrosio, Anna Di Fiore, Emma Langella

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Targeting SLC4A4: A Novel Approach in Colorectal Cancer Drug Repurposing by Krunal Pawar, Pramodkumar P. Gupta, Pooran Singh Solanki, Ravi Ranjan Kumar Niraj, Shanker L. Kothari

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Anti-Biofilm Agents to Overcome <i>Pseudomonas aeruginosa</i> Antibiotic Resistance by Marie Hanot, Elodie Lohou, Pascal Sonnet

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Advancing Alzheimer's Therapy: Computational strategies and treatment innovations by Jibon Kumar Paul, Abbeha Malik, Mahir Azmal, Tooba Gulzar, Muhammad Talal Rahim Afghan, Omar Faruk Talukder, Samar Shahzadi, Ajit Ghosh

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Screening of SIRT2 inhibitors from natural product databases using computer-aided drug design and molecular dynamics simulation by Tianyi Liu, Hongli Yin, Xue Dong, Qingyang Hu, Xuejiao Hu, Wenxin Yan, Huanhuan Wang, Zhong Li

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Virtual Screening for Potential Inhibitors of NS3 Protein of Zika Virus by Maheswata Sahoo, Lingaraja Jena, Sangeeta Daf, Satish Kumar

Subjects: “…drug design…”
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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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