A covalent chemical probe for Chikungunya nsP2 cysteine protease with antialphaviral activity and proteome-wide selectivity

Authors: Anirban Ghoshal, Edwin G. Tse, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Eric M. Merten, John D. Sears, Stefanie Howell, Sumera Perveen, Jane Burdick, Noah L. Morales, Sabian A. Martinez, Isabella Law, Bennett J. Davenport, Thomas E. Morrison, Zachary J. Streblow, Daniel N. Streblow, Angie L. Mordant, Thomas S. Webb, Aurora Cabrera, Laura E. Herring, Cheryl H. Arrowsmith, Kenneth H. Pearce, Nathaniel J. Moorman, Mark T. Heise, Rafael M. Couñago, Peter J. Brown, Timothy M. Willson

Source: Scientific Reports, Vol 15, Iss 1, Pp 1-14 (2025)

Subject Terms: Covalent inhibitor, Cysteine protease, Chemical probe, Antiviral, Alphavirus, Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/2045-2322

Access URL: https://doaj.org/article/8aca8b6ee16a4bd28a2ac2f20004c49b

Bicyclic peptide-enhanced covalent inhibitor of SARS-CoV-2 3CL protease

Authors: Qian Wang, Yanhui Wang, Jian Li, Hong Liu, Shiyu Chen

Source: Exploration of Drug Science, Vol 2, Iss 6, Pp 719-733 (2024)

Subject Terms: protease covalent inhibitor, bicyclic peptide, sars-cov-2, 3cl protease, Pharmacy and materia medica, RS1-441

File Description: electronic resource

Relation: https://www.explorationpub.com/uploads/Article/A100871/100871.pdf; https://doaj.org/toc/2836-7677

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Antibiotic target discovery by integrated phenotypic and activity-based profiling of electrophilic fragments

Authors: Jin, Yizhen ^{1, 2, 3}, Jana, Sadhan ^{2, 3}, Abbasov, Mikail E. ^{2, ∗}, Lin, Hening ^{4, 5, 6, ∗∗}

Source: In Cell Chemical Biology 20 March 2025 32(3):434-448

Discovery of the salicylaldehyde-based compound DDO-02267 as a lysine-targeting covalent inhibitor of ALKBH5

Authors: Fei, Wen-Long ^{a, b, 1}, Wang, Ying-Zhe ^{a, b, 1}, Feng, Qing-Lan ^{a, b}, Li, Cui-Ting ^{a, b}, Jiang, Rui-Xin ^{a, b}, Zhang, Shi-Di ^{a, b}, Pan, Yun ^a, Ni, Peng-Fei ^a, Huang, Fei-Ran ^a, Huangfu, Yi-Bing ^a, Zhang, Shi-Da ^a, You, Qi-Dong ^{a, b, ⁎⁎}, Guo, Xiao-Ke ^{a, b, ⁎}

Source: In European Journal of Medicinal Chemistry 15 February 2025 284

In vitro metabolism of targeted covalent inhibitors and their thiol conjugates by gut microbiome from rats, mice, and humans

Authors: Gu, Ting-Jia ¹, Cai, Jingwei ¹, Auster, Alexis ¹, Torres, Elizabeth ², Zhang, Donglu ¹, Khojasteh, S. Cyrus ¹, Wang, Shuai ^{1, ∗}

Source: In Drug Metabolism and Disposition February 2025 53(2)

Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPARγ

Authors: Jinsai Shang, Douglas J Kojetin

Source: eLife, Vol 13 (2024)

Subject Terms: NMR spectroscopy, nuclear receptors, covalent inhibitor, pharmacology, structural biology, crystal structure, Medicine, Science, Biology (General), QH301-705.5

File Description: electronic resource

Relation: https://elifesciences.org/articles/99782; https://doaj.org/toc/2050-084X

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Discovery of new covalent inhibitors of monoacylglycerol lipase with the nitrile warhead via SCARdock

Authors: Wang, Juanping ^{a, b, 1}, Shi, Xiaoyu ^{a, b, 1}, Wang, Junlai ^{a, b}, Zheng, Qiang ^{a, b}, Shao, Peipei ^{a, b}, Liu, Sen ^{a, b, ⁎}

Source: In Bioorganic Chemistry 1 June 2025 159

Isotope-labeled click-free probes to identify protein targets of lysine-targeting covalent reversible molecules

Authors: Ma, Xingyu, Chen, Yi-Xin, Ye, Zi, Zhang, Chong-Jing ^⁎

Source: In Chinese Chemical Letters May 2025 36(5)

Synthesis and evaluation of novel ebselen derivatives as urease inhibitors for combating Helicobacter pylori infections

Authors: Cao, Weilong ^{a, 1}, Jin, Feng ^{a, 1}, Liu, Binzhuo ^{a, 1}, Xu, Guangzhao ^a, Jin, Shanshan ^a, Jia, Zongqing ^a, Peng, Peng ^b, Song, Weiguo ^{a, ⁎⁎}, Li, Fahui ^{a, ⁎⁎⁎}, Gao, Dingding ^{c, ⁎⁎⁎⁎}, Feng, Kairui ^{a, ⁎}

Source: In European Journal of Medicinal Chemistry 5 April 2025 287

Mechanism-Based Allylic Carbasugar Chlorides That Form Covalent Intermediates with α- and β-Galactosidases

Authors: Oluwafemi Akintola, Sandeep Bhosale, Andrew J. Bennet

Source: Molecules, Vol 29, Iss 20, p 4870 (2024)

Subject Terms: mechanism-based, glycoside hydrolase, covalent inhibitor, carbasugar, selectivity, galactosidase, Organic chemistry, QD241-441

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Relation: https://www.mdpi.com/1420-3049/29/20/4870; https://doaj.org/toc/1420-3049

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Tetrandrine inhibits aldosterone synthesis by covalently targeting CYP11A1 to attenuate hypertension

Authors: Simeng Chu, Wei Yang, Yujie Lu, Junjie Li, Jiamin Peng, Wenjuan Liu, Min Jiang, Gang Bai

Source: Frontiers in Pharmacology, Vol 15 (2024)

Subject Terms: Tetrandrine, CYP11A1, covalent inhibitor, aldosterone, antihypertensive, Therapeutics. Pharmacology, RM1-950

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fphar.2024.1387756/full; https://doaj.org/toc/1663-9812

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Pharmacophore-Assisted Covalent Docking Identifies a Potential Covalent Inhibitor for Drug-Resistant Genotype 3 Variants of Hepatitis C Viral NS3/4A Serine Protease

Authors: Kanzal Iman, Muhammad Usman Mirza, Fazila Sadia, Matheus Froeyen, John F. Trant, Safee Ullah Chaudhary

Source: Viruses, Vol 16, Iss 8, p 1250 (2024)

Subject Terms: Hepatitis C virus, MD simulations, covalent inhibitor, drug resistance, pharmacophore-based virtual screening, Microbiology, QR1-502

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Relation: https://www.mdpi.com/1999-4915/16/8/1250; https://doaj.org/toc/1999-4915

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A novel CPT1A covalent inhibitor modulates fatty acid oxidation and CPT1A-VDAC1 axis with therapeutic potential for colorectal cancer

Authors: Anni Hu, Hang Wang, Qianqian Xu, Yuqi Pan, Zeyu Jiang, Sheng Li, Yi Qu, Yili Hu, Hao Wu, Xinzhi Wang

Source: Redox Biology, Vol 68, Iss , Pp 102959- (2023)

Subject Terms: Colorectal cancer, 2,6-Dihydroxypeperomin B, CPT1A, Covalent inhibitor, VDAC1, Medicine (General), R5-920, Biology (General), QH301-705.5

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Relation: http://www.sciencedirect.com/science/article/pii/S2213231723003609; https://doaj.org/toc/2213-2317

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Small molecule nitroalkenes inhibit RAD51-mediated homologous recombination and amplify triple-negative breast cancer cell killing by DNA-directed therapies

Authors: Lisa Hong, Dennis C. Braden, Yaoning Zhao, John J. Skoko, Fei Chang, Steven R. Woodcock, Crystall Uvalle, Allison Casey, Katherine Wood, Sonia R. Salvatore, Alparslan Asan, Trey Harkness, Adeola Fagunloye, Mortezaali Razzaghi, Adam Straub, Maria Spies, Daniel D. Brown, Adrian V. Lee, Francisco Schopfer, Bruce A. Freeman, Carola A. Neumann

Source: Redox Biology, Vol 66, Iss , Pp 102856- (2023)

Subject Terms: TNBC, Nitroalkenes, RAD51, DNA repair, Covalent inhibitor, Medicine (General), R5-920, Biology (General), QH301-705.5

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Relation: http://www.sciencedirect.com/science/article/pii/S2213231723002574; https://doaj.org/toc/2213-2317

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Identification of Dihydropyrazolo[1,5-a]pyrazin-4(5H)-ones as Cyclic Products of β-Amidomethyl Vinyl Sulfone Alphavirus Cysteine Protease Inhibitors

Authors: Anirban Ghoshal, Álvaro F. Magalhães, Kesatebrhan Haile Asressu, Mohammad Anwar Hossain, Matthew H. Todd, Timothy M. Willson

Source: Pharmaceuticals, Vol 17, Iss 7, p 836 (2024)

Subject Terms: cysteine protease, covalent inhibitor, vinyl sulfone, antiviral, prodrug, Medicine, Pharmacy and materia medica, RS1-441

File Description: electronic resource

Relation: https://www.mdpi.com/1424-8247/17/7/836; https://doaj.org/toc/1424-8247

Access URL: https://doaj.org/article/87f8f130ef43418e9874a8e9b8ca2984

Novel Antibacterial Agents

Contributors: Meneghetti, Fiorella, Barlocco, Daniela

Subject Terms: saccharin, tetrazole, 1,3,4-thiadiazole, H7PX glioma cells, antimicrobial screening, antioxidant capacity, oxidative stress, natural products, medicinal plants, anti-infective agents, alternative infection models, antibacterial, anticancer, GC-MS, LIBS, Moringa oleifera, seed extract, MRSA, marine bisindole alkaloids, antibiofilm activity, adjuvants agents, VBNC cells, indole, thioxothiazolidine, antibacterial activity, antifungal activity, computer-aided prediction, docking, Mur B, CYP 51, plant compounds, diarrhea, selectivity, compounds screening, quorum sensing inhibition, molecular docking, AMP, antimicrobial activity, antiviral activity, bacteriocin, COVID-19, disinfectant, Lactobacillus plantarum, plantaricin, carbon nanotubes, quaternary ammonium groups, hyperbranched dendritic polymers, antibacterial properties, anti-cyanobacterial properties, 3D-printing, dental polymer, antibacterial agent, coating, mesoporous silica nanoparticles, polydimethylsiloxane, Leishmania tropica and infantum, antileishmanial agents, lucanthone analogues, amitriptyline analogues, quinolizidine-derived compounds, molecular modelling studies, covalent inhibitor, MurA, cyclobutenaminone, irreversible, methicillin-resistant Staphylococcus aureus, essential oils, Origanum majorana, Rosmarinus officinalis, Thymus zygis, biofilm inhibition and eradication, urushiol, 3-pentylcatechol, 3-pentadecylcatechol, Helicobacter pylori, antimicrobial, triple therapy, atopic dermatitis, skin barrier, cutaneous dysbiosis, Staphylococcus aureus, microbial therapy, drug delivery systems, tris(1H-indol-3-yl)methylium, turbomycin, indole derivatives, antibacterial action, overcoming of drug resistance, biological activities, essential oil, extract, Thymus mastichina, imidazole and imidazolium salts, amino acid, antibacterial agents, aggregation, lipophilicity, antimicrobial peptide, biomembranes, ESKAPE, antibiotic resistance, NMR, molecular dynamics, biophysics, sequence alignment, lytic infection, antibiotic-resistance, Mycobacterium tuberculosis, Acinetobacter baumannii, Pseudomonas aeruginosa, phage production, magistral phage, pulmonary delivery, oral administration, topical delivery, Pinus cembra L., Pinus mugo Turra, Picea abies L., Abies alba M., chemical investigation, HS-GC/MS, antioxidant activity, tuberculosis, mycobactins, furan, siderophores, drug design, bioisosterism, drug resistance, Research and information: general

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Access URL: https://directory.doabooks.org/handle/20.500.12854/78739
https://mdpi.com/books/pdfview/book/4830

Drug-like molecules with anti-trypanothione synthetase activity identified by high throughput screening

Authors: Diego Benítez, Jaime Franco, Florencia Sardi, Alejandro Leyva, Rosario Durán, Gahee Choi, Gyongseon Yang, Taehee Kim, Namyoul Kim, Jinyeong Heo, Kideok Kim, Honggun Lee, Inhee Choi, Constantin Radu, David Shum, Joo Hwan No, Marcelo A. Comini

Source: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 37, Iss 1, Pp 912-929 (2022)

Subject Terms: Trypanothione synthetase, Leishmania, Trypanosoma, covalent inhibitor, non-competitive inhibition, Therapeutics. Pharmacology, RM1-950

File Description: electronic resource

Relation: https://doaj.org/toc/1475-6366; https://doaj.org/toc/1475-6374

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Discovery of SARS-CoV-2 main protease covalent inhibitors from a DNA-encoded library selection

Authors: Rui Ge, Zuyuan Shen, Jian Yin, Wenhua Chen, Qi Zhang, Yulong An, Dewei Tang, Alexander L. Satz, Wenji Su, Letian Kuai

Source: SLAS Discovery, Vol 27, Iss 2, Pp 79-85 (2022)

Subject Terms: Covalent inhibitor, Covalent DEL selection, SARS-CoV-2 Mpro, COVID-19, Medicine (General), R5-920, Biotechnology, TP248.13-248.65

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2472555222000065; https://doaj.org/toc/2472-5552

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A targeted covalent inhibitor of p97 with proteome-wide selectivity

Authors: Zi Ye, Ke Wang, Lianguo Chen, Xiaofeng Jin, Hao Chen, Guanghui Tang, Shao Q. Yao, Zhiqiang Feng, Chong-Jing Zhang

Source: Acta Pharmaceutica Sinica B, Vol 12, Iss 2, Pp 982-989 (2022)

Subject Terms: p97, Activity-based protein profiling, Targeted covalent inhibitor, Chemical proteomics, Therapeutics. Pharmacology, RM1-950

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Relation: http://www.sciencedirect.com/science/article/pii/S2211383521003452; https://doaj.org/toc/2211-3835

Access URL: https://doaj.org/article/66499596b2644edfa7aa4afa65d5f9cf

Covalent targeting the LAS1-NOL9 axis for selective treatment in NPM1 mutant acute myeloid leukemia

Authors: Yefan Han, Anni Hu, Yi Qu, Qianqian Xu, Hang Wang, Yin Feng, Yili Hu, Li He, Hao Wu, Xinzhi Wang

Source: Pharmacological Research, Vol 189, Iss , Pp 106700- (2023)

Subject Terms: AML, NPM1 mutation, LAS1-NOL9 axis, Covalent inhibitor, Ribosome biogenesis, RRNA maturation, Therapeutics. Pharmacology, RM1-950

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Relation: http://www.sciencedirect.com/science/article/pii/S1043661823000567; https://doaj.org/toc/1096-1186

Access URL: https://doaj.org/article/fc5a280969064abe9a2638c7c4e157a2