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Deep Learning Combined with Quantitative Structure‒Activity Relationship Accelerates De Novo Design of Antifungal Peptides.

• Authors : Yin K; Zhengzhou Key Laboratory of Functional Molecules for Biomedical Research, Henan University of Technology, Zhengzhou, Henan, 450001, P. R. China.; College of Information Science and Engineering, Henan University of Technology, Zhengzhou, Henan, 450001, P. R. China.

Subjects: Deep Learning* ; Antifungal Agents*/Antifungal Agents*/Antifungal Agents*/pharmacology ; Antifungal Agents*/Antifungal Agents*/Antifungal Agents*/chemistry

• Source: Advanced science (Weinheim, Baden-Wurttemberg, Germany) [Adv Sci (Weinh)] 2025 Apr; Vol. 12 (13), pp. e2412488. Date of Electronic Publication: 2025 Feb 08.Publisher: WILEY-VCH Country of Publication: Germany NLM ID: 101664569 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2198-3844

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Structure-Activity Relationship Studies of the Peptide Antibiotic Clovibactin.

• Authors : Brunicardi, Jackson; Griffin, James; Ferracane, Michael

Subjects: Anti-Bacterial Agents; Structure-Activity Relationship; Microbial Sensitivity Tests

• Source: The Journal of Organic Chemistry. 89(17)

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Insecticidal Activity of Monoterpenoids Against Sitophilus zeamais Motschulsky and Tribolium castaneum Herbst: Preliminary Structure–Activity Relationship Study.

• Authors : Sierra-Quitian, Andrés G.¹ (AUTHOR); Prieto-Rodríguez, Juliet A.² (AUTHOR); Patiño-Ladino, Oscar J.¹ (AUTHOR)

Subjects: *Conjugated systems; *Corn weevil; *Red flour beetle

• Source: International Journal of Molecular Sciences. Apr2025, Vol. 26 Issue 7, p3407. 24p.

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Quantitative Structure–Activity Relationship (QSAR) Modeling of Chiral CCR2 Antagonists with a Multidimensional Space of Novel Chirality Descriptors.

• Authors : Natarajan, Ramanathan¹ (AUTHOR) ; Natarajan, Ganapathy S.² (AUTHOR) ; Basak, Subhash C.³ (AUTHOR)

Subjects: *Principal components analysis; *Environmental toxicology; *Chemokine receptors

• Source: Molecules. Jan2025, Vol. 30 Issue 2, p307. 14p.

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مطالعه ارتباط کمی ساختار - فعالیت برخی از داروهای مهارکننده آنزیم مبدل آنژیوتانسین I در کنترل فشارخون بر اساس روش بهینه سازی مونت کارلو.

• Authors : شهرام لطفی¹ ; شهین احمدی²; علی عظیمی³

• Source: Journal of Ilam University of Medical Sciences. 2025, Vol. 33 Issue 2, p26-44. 19p.

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A Review of Quinazoline-Based EGFR/VEGFR-2 Dual Inhibitors as Potent Anticancer Agents: Structure-Activity Relationship and Docking Studies

• Authors : Fatemeh Yousefbeyk; Saeed Ghasemi

Subjects: dual inhibitors; egfr; kinase

• Source: Pharmaceutical Sciences, Vol 31, Iss 1, Pp 43-64 (2025)

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Functionality Determinants and Pore-level Quantitative Structure-Activity Relationship (QSAR) Approach for Water Permeation Rate in Aquaporins

• Authors : Galano-Frutos, Juan José; Bergamasco, Luca; Vigo, Paolo

Subjects: Quantitative Biology - Biomolecules

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Computational transformation in drug discovery: A comprehensive study on molecular docking and quantitative structure activity relationship (QSAR).

• Authors : Shah, Manan¹ ; Patel, Maanit²; Shah, Monit³

• Source: Intelligent Pharmacy. Oct2024, Vol. 2 Issue 5, p589-595. 7p.

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In Vitro Structure-Activity Relationship Stability Study of Antisense Oligonucleotide Therapeutics Using Biological Matrices and Nucleases.

• Authors : Lovrić J; DMPK, Research and Early Development Cardiovascular, Renal and Metabolism, BioPharmaceuticals R&D, AstraZeneca, Gothenburg, Sweden.; Yan J

Subjects: Oligonucleotides, Antisense*/Oligonucleotides, Antisense*/Oligonucleotides, Antisense*/chemistry ; Oligonucleotides, Antisense*/Oligonucleotides, Antisense*/Oligonucleotides, Antisense*/metabolism ; Phosphodiesterase I*/Phosphodiesterase I*/Phosphodiesterase I*/metabolism

• Source: Pharmacology research & perspectives [Pharmacol Res Perspect] 2025 Jun; Vol. 13 (3), pp. e70096.Publisher: John Wiley & Sons Ltd, British Pharmacological Society and American Society for Pharmacology and Experimental Therapeutics Country of Publication: United States

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Research Progress on the Structure-activity Relationship and Mechanism of Flavonoid Derivatives in the Treatment of Lung Cancer.

• Authors : Yao J; Graduate School, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China.; Faculty of Pharmacy, Shanghai University of Medicine and Health Sciences, Shanghai 201318, China.

Subjects: Flavonoids*/Flavonoids*/Flavonoids*/chemistry ; Flavonoids*/Flavonoids*/Flavonoids*/therapeutic use ; Flavonoids*/Flavonoids*/Flavonoids*/pharmacology

• Source: Molecules (Basel, Switzerland) [Molecules] 2025 Apr 18; Vol. 30 (8). Date of Electronic Publication: 2025 Apr 18.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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