Design, synthesis, biological evaluation, and computational studies of triazole-containing Schiff base compounds

Büşra Albayrak Misir, Jülide Nacaroğlu Balli, Ramazan Korkmaz, İbrahim Seyfettin Çelik, Muhammad Sirajuddin, Muhammad Sadeeq and Muhammet Köse

Journal of Molecular Liquids, 2026, 452, 129492
DOI: 10.1016/j.molliq.2026.129492

Exploration of carbonic anhydrase inhibitors from Ginkgo biloba leaves: Fast screening with ligand-incorporated cross-linked enzyme aggregates followed by inhibitory mechanism study

Xiaozhuan Jia, Xin Shen, Shunhao Lin, Yuanlin Luo, Wei Zhou, Yue Gao, Xiaohui Fan, Pan Shen and Zhenzhong Yang

Industrial Crops and Products, 2026, 248, 123609
DOI: 10.1016/j.indcrop.2026.123609

Design and synthesis of novel xanthone-thiazole hybrid derivatives as potent anti-inflammatory agent

Lokman Ali Ahmed, Babita Deka, Hiyashree Sharmah, Pooja Patowary, Bhargab Jyoti Sahariah and Apurba Talukdar

Computational Biology and Chemistry, 2025, 119, 108523
DOI: 10.1016/j.compbiolchem.2025.108523

Discovery of tetrasubstituted tetrahydropyrimidines as novel inhibitors against influenza a virus

Zesheng Huang, Zhixuan Chen, Xiaoyi Qin, Qiuhua Zhu and Jie Yang

Bioorganic Chemistry, 2025, 163, 108785
DOI: 10.1016/j.bioorg.2025.108785

Diversity-oriented synthesis of Para-aryl Sulfonamides as potent human carbonic anhydrase inhibitors via modular click chemistry

Xinmo Gui, Jie Wang, Xian Wang, Min Xie, Guangyuan Yin, Liangkai Shao, Liqing Zheng, Peixin Han and Jiong Zhang

Bioorganic Chemistry, 2026, 170, 109525
DOI: 10.1016/j.bioorg.2026.109525

Multitarget inhibition of diabetic enzymes by thiazole carboxylic acids: experimental and computational approaches

Serpil Gerni, Yeliz Demir and Büşra Dinçer

Journal of Molecular Liquids, 2025, 437, 128421
DOI: 10.1016/j.molliq.2025.128421

Mechanistic enzyme-oriented investigation of benzimidazole derivatives associated with kidney dysfunction: synthesis, molecular docking and in vivo toxicological evaluation

Sha Liu, Wenna Song, Qingliang Hu, Yibing Liang, Lifen Wang, Yebing Liu, Xinpan Chen, Liyan Wang, Dai Deng, Aihua Zhang, Yiming Guang, Xueqi Wang, Yongli Han and Hongdong Huang

Bioorganic Chemistry, 2026, 172, 109554
DOI: 10.1016/j.bioorg.2026.109554

Identification of novel Piperazine based bisubstrate inhibitors of human nicotinamide N-methyltransferase (hNNMT) with potential anticancer activities

A.S. Harikrishna and Venkitasamy Kesavan

Bioorganic & Medicinal Chemistry, 2025, 130, 118368
DOI: 10.1016/j.bmc.2025.118368

Novel flavone derivatives as aldose reductase inhibitors with anti-cataract potential using goat lens

Manickam Vijayabaskaran, Elangovan Kapemeyar and Arumugam Madeswaran

Letters in Drug Design & Discovery, 2025, 22, 100247
DOI: 10.1016/j.lddd.2025.100247

Targeting Human Carbonic Anhydrases with Novel Piperazine and Homopiperazine Benzenesulfonamides to Alleviate Paclitaxel-Induced Peripheral Neuropathy

Laura Micheli, Andrea Angeli, Lorenzo Di Cesare Mannelli, Carla Ghelardini, Marta Ferraroni, Rudolfs Barons, Raivis Zalubovskis, Susi Zara, Simone Carradori and Claudiu T. Supuran

J. Med. Chem., 2025, 68, 25485
DOI: 10.1021/acs.jmedchem.5c02626

Discovery of 1H-pyrazolo[3,4-d]pyrimidin-4-ylamine derivatives as potent PI3Kδ/BTK dual-target inhibitors for the treatment of B-cell lymphoma

Zunyuan Wang, Yingqiao Ye, Youkun Kang, Hongmei Zheng, Xinyue Chang, Xiangwei Xu, Chixiao Zhang and Wenhai Huang

Bioorganic & Medicinal Chemistry, 2026, 138, 118660
DOI: 10.1016/j.bmc.2026.118660

Synthesis, Characterization and Carbonic Anhydrase Inhibitor Properties of Metal Complexes of 4-sulfamoylbenzoic Acid

Tevfik Emre Kaya, Nagihan Kaya, Şüheda Özkul, Burak Yildiz, Ekrem Tunca and Halil İlkimen

Iğdır Üniv. Fen Bil Enst. Der., 2026, 16, 221
DOI: 10.21597/jist.1701182

Solution-phase multifunctional modulation of cholinesterases and carbonic anhydrases by thiourea–pyrimidine benzenesulfonamides: Kinetics and explicit-solvent molecular dynamics

Fatih Tok, Alessia Dumani, Sultan Güney, Burçin İrem Abas, Bensu Kozan, Cüneyt Türkeş, Hatice Esra Duran, Faika Başoğlu, Özge Çevik and Abdulilah Ece

Journal of Molecular Liquids, 2026, 449, 129456
DOI: 10.1016/j.molliq.2026.129456

Novel benzimidazole-based thioamide derivatives as potential anticancer agents: synthesis, biological evaluation, and in silico studies

Mahadevi Vitthal Kendre, Sachin S. Bhusari and Pravin S. Wakte

Bioorganic Chemistry, 2026, 175, 109793
DOI: 10.1016/j.bioorg.2026.109793

The correlation of immunotoxicity with size and chemical properties of particulate matter within macrophages

Hsiang-Yu Kung, Yi-Shiuan Wang, Yung-Jui Chen, Ting-Hsuan Wu, Jai-Yu Chen, Yueh-Feng Wen, Yu-Cheng Chen, Hong-Lin Chan and Hsiu-Chuan Chou

Comparative Biochemistry and Physiology Part C: Toxicology & Pharmacology, 2025, 295, 110215
DOI: 10.1016/j.cbpc.2025.110215

The Relationship Between Aldose Reductase and Isoxazole Derivatives: An In Vitro and In Silico Approach to Its Correlation With Diabetic Conditions

Ahmet Esat Göner and Hatice Esra Duran

Biotech and App Biochem, 2026, 73, 43
DOI: 10.1002/bab.70003

ADME analysis, metabolic prediction, and molecular docking of lipoic acid with SARS-CoV-2 Omicron spike protein

Carlos Alonso Leite dos Santos, Antonia Adeublena de Araújo Monteiro, Adrielle Rodrigues Costa, Luiz Marivando Barros, Abdulaziz Aloufi, Mashal M. Almutairi, Waseem Hassan, Jean Paul Kamdem, Antonia Eliene Duarte, Abid Ali and Mohammad Ibrahim

Sci Rep, 2025, 15
DOI: 10.1038/s41598-025-93121-2

10PL8 and 2fPL8 inhibit gastric cancer cell proliferation by targeting degradation of CDK6 proteins to arrest the cell cycle

Hao Zhang, Hong Fang, Hongmei Zhu, Zhongkun Zhou, Yunhao Ma, Shude Chen, Lixue Tu, Yuqing Niu, Juan Lu, Liqian Du, Yuqi Yue, Xin Ma and Peng Chen

Bioorganic & Medicinal Chemistry, 2025, 128, 118282
DOI: 10.1016/j.bmc.2025.118282

Antitumoral Profile of 1,3,4‐Thiadiazolium Salts: Insights Into a Combinatory Therapeutic Approach With Flavonoid Quercetin

Otávio Augusto Chaves, Juliana Echevarria‐Lima, Carlos Serpa and Áurea Echevarria

Chemistry & Biodiversity, 2025, 22
DOI: 10.1002/cbdv.202501903

Discovery of novel 1,2,4-triazoles derivatives acting as NF1 activators against cervical cancer

Yao Yin, Zhibing Song, Luqi Wang, Sami Karam, Yijing Zhang, Davor Margetic, Peiran Chen, Yingyuan Peng, Yijia Yan and Zhi-Long Chen

Bioorganic & Medicinal Chemistry, 2026, 138, 118661
DOI: 10.1016/j.bmc.2026.118661

Comprehensive insights into carbonic anhydrase inhibition: A triad of In vitro, In silico, and In vivo perspectives

Ahmed A. Allam, Hassan A. Rudayni, Noha A. Ahmed, Faris F. Aba Alkhayl, Al Mokhtar Lamsabhi and Emadeldin M. Kamel

Enzyme and Microbial Technology, 2025, 189, 110657
DOI: 10.1016/j.enzmictec.2025.110657

Investigation of 4-(4-Chlorophenyl)-2,4-dihydro-5-(4-pyridyl)-3H-1,2,4-triazole-3-thione in morphine induced dependence model augmented by simulation and molecular docking

Insha Ayub, Neelum Gul Qazi, Ismail Badshah, Humaira Nadeem, Sajid Hussain, Farman Ullah, Khalaf F. Alsharif, Khalid J. Alzahrani, Fawad Ali and Haroon Khan

Letters in Drug Design & Discovery, 2025, 22, 100326
DOI: 10.1016/j.lddd.2026.100326

Design, synthesis, and biological evaluation of 2-amino-1,3,4-thiadiazoles as new potential EGFR inhibitors for treatment of cancer

Sachin M. Thorat, Summon Koul, Sachin Kote and Ramakrishna G. Bhat

Bioorganic & Medicinal Chemistry, 2026, 134, 118527
DOI: 10.1016/j.bmc.2025.118527

Discovery of a highly selective BChE inhibitor with concomitant anti-neuroinflammatory activity for treating Alzheimer's disease

Yarong Zhao, Kun Wu, Wei Luo, Yuting Zhao, Jing Zeng, Junbo Wu, Changlei Yang, Meiling Yang, Jia Liu, Zhengwen Lei, Xue Peng and Zhen Wang

European Journal of Medicinal Chemistry, 2025, 299, 118071
DOI: 10.1016/j.ejmech.2025.118071

Antioxidant, and enzyme inhibition effects of chia (Salvia hispanica) seed oil: A comprehensive phytochemical screening using LC-HR/MS

Muzaffer Mutlu, Zeynebe Bingol, Eda Mehtap Ozden, Ekrem Köksal, Adem Erturk, Ahmet C. Goren, Saleh Alwasel and İlhami Gulcin

Electronic Journal of Biotechnology, 2025, 74, 41
DOI: 10.1016/j.ejbt.2024.12.002

Binding of Sunset Yellow, a food coloring, to human carbonic anhydrase II: Structural and functional insights from a multi-spectroscopic study

Faezeh Hasrati, Sirous Ghobadi and Zohreh Shariati

Chemico-Biological Interactions, 2025, 421, 111746
DOI: 10.1016/j.cbi.2025.111746

Carbonic anhydrases inhibition in the management of cardiovascular and cardiometabolic disorders

Alice Mallia, Lisa Brocca, Giulia G. Papaianni and Cristina Banfi

Biomedicine & Pharmacotherapy, 2025, 190, 118396
DOI: 10.1016/j.biopha.2025.118396

N-substituted phthalimide–carboxylic acid hybrids as dual-targeted aldose reductase inhibitors: Synthesis, mechanistic insights, and cancer-relevant profiling

Blinera Zognjani, Arleta Rifati Nixha, Hatice Esra Duran, Mustafa Arslan, Gizem Yıldıztekin, Abdulilah Ece and Cüneyt Türkeş

Bioorganic Chemistry, 2025, 163, 108788
DOI: 10.1016/j.bioorg.2025.108788

Design and Synthesis of Bis-Triazole-Linked Benzenesulfonamides as Selective Carbonic Anhydrase IX/XII Inhibitors with Chemosensitizing Activity

Eslam Roshdy, Ahmet Kilic, Muhamad Mustafa, Ismail Celik, Zeynep Betül Sarı, Ender Simsek, Alessio Nocentini, Simone Giovannuzzi, Claudiu T. Supuran, Özen Özensoy Güler, Jean-Yves Winum and Manabu Abe

J. Med. Chem., 2026, 69, 11365
DOI: 10.1021/acs.jmedchem.6c00547

Indole-functionalized 1,2,3-triazole derivatives: Synthesis, antimicrobial activity, molecular docking, DFT and ADME studies

Shaktising Pardeshi, Vikram Jadhav, Shamrao Disale, Hemant Suryavanshi, Vishnu A. Adole and Bharatkumar Sapkal

Journal of Molecular Structure, 2026, 1369, 146282
DOI: 10.1016/j.molstruc.2026.146282

A comprehensive review of the structural basis for the selectivity of sulfonamide-based inhibitors for carbonic anhydrase isoforms IX and XII over carbonic anhydrase II based on the available high quality crystallographic data

Sarfraz Ahmad, Muhammad Usman Mirza, Mamoona Nazir, Lee Yean Kee, Noorsaadah Binti Abd Rahman, Iskandar Abdullah and John F. Trant

Archives of Biochemistry and Biophysics, 2026, 777, 110682
DOI: 10.1016/j.abb.2025.110682

Some Novel Oxirane-Thiirane Derivatives: Synthesis, Molecular docking and Enzymatic Inhibition for Therapeutic Potential

Vagif Farzaliyev, Adem Ertürk, Afat Huseynova, Yeliz Demir, Hatice Kızıltaş, Afsun Sujayev, Mir Ali İsakov, Beyim Ibrahimova and İlhami Gülçin

Cell Biochem Biophys, 2025, 83, 3607
DOI: 10.1007/s12013-025-01740-3

Novel antiviral compounds: Synthesis, biological studies on SARS-CoV-2, and structure-activity relationship analysis

Sumit Kumar, Renata Pessôa Germano Mendes, Meenakshi Bansal, Charu Upadhyay, Willyenne Marilia Dantas, Xujie Zhang, Ronaldo Nascimento de Oliveira, Peng Zhan, Agam P. Singh, Anant N. Bhatt, Lindomar Pena, Brijesh Rathi and Priyamvada Singh

Bioorganic & Medicinal Chemistry, 2026, 137, 118608
DOI: 10.1016/j.bmc.2026.118608

New 1,2,3-triazole derivatives as acetylcholinesterase and carbonic anhydrase inhibitors: Synthesis, molecular docking, and solubility

Cagla Efeoglu, Yeliz Demir, Cüneyt Türkeş, Erdal Yabalak, Zeynel Seferoglu and Yahya Nural

Archives of Biochemistry and Biophysics, 2025, 771, 110515
DOI: 10.1016/j.abb.2025.110515

Pursing Quinoline-8-Sulfonamide derivatives for the identification of potent NPPs inhibitors: In silico molecular docking, molecular dynamics simulations and density field theory (DFT) studies

Jamshed Iqbal, Talha Islam, Mariya al-Rashida, Abdul Hameed, Taseer Iftikhar, Julie Pelletier, Jean Sévigny, Salman Alrokayan, Maria Maqbool, Khurshid Ayub and Tajamul Hussain

Results in Chemistry, 2025, 17, 102556
DOI: 10.1016/j.rechem.2025.102556

Computer aided design of CGA-N9 derived peptides based on oligopeptide transporters and their antifungal evaluations

Fu Yan, Yiqing Sun, Shaojie Zhang, Yifan Jia, Jinhua Zhang, Liang Huang, Qiang Xu, Yinzhi Zhang, Shihua Chen, Xingquan Wu and Ruifang Li

Bioorganic Chemistry, 2025, 160, 108485
DOI: 10.1016/j.bioorg.2025.108485

Contemporary Insights into Triazole Derivative Synthesis and Biological Functions

Khushboo Singh, Arpit Srivastav, Ravi Kumar Shukla, Abhishek Srivastava and Vinay Kumar Singh

Synlett, 2026, 37, 783
DOI: 10.1055/a-2718-7219

Tipranavir analogs as antiviral agents: Design, synthesis, in vitro, and in silico study of new SARS-CoV-2 main protease inhibitors

Selwan M. El-Sayed, Dina I.A. Othman, Ghada S. Hassan, Ahmed H.E. Hassan, Shahenda M. El-Messery and Ahmed R. El-Sheakh

Bioorganic Chemistry, 2025, 163, 108624
DOI: 10.1016/j.bioorg.2025.108624

Synthesis and pharmacological evaluation of benzimidazole amine derivatives as novel allosteric antagonists for β2-adrenergic receptor

Yu Chen, Kexin Ye, Yujie Zhang, Xinyan Shen, Yanan Hou, Shuai Zhao, Chunbao Miao, Mingcheng Qian and Xin Chen

Bioorganic & Medicinal Chemistry, 2026, 138, 118644
DOI: 10.1016/j.bmc.2026.118644

Design of N-salicyltryptamines-based highly selective BChE inhibitors to elevate brain acetylcholine, improve learning, and reduce amyloid-β in Alzheimer's disease

Kun Wu, Changlei Yang, Jing Zeng, Qingling Wu, Yarong Zhao, Chengxuan Hu, Yuting Zhao, Junbo Wu, Heng Yang, Zhen Wang and Xue Peng

European Journal of Medicinal Chemistry, 2026, 302, 118273
DOI: 10.1016/j.ejmech.2025.118273

Triazine–Salicylate–Aniline Hybrids as Potential Anticancer Agents: Virtual Molecular Hybridization, ADMET, Molecular Docking, Molecular Dynamics, MMGBSA and DFT Studies

Kabelo P. Mokgopa, Adedapo S. Adeyinka, Ndivhuwo R. Tshiluka and Sohini Basu Roy

Journal of Chemistry, 2025, 2025
DOI: 10.1155/joch/9134300

Development of novel paullone-based PROTACs as anticancer agents

Srinivas Manda, Vamsee Krishna Chatakonda, Vinod G. Ugale, Shalini Tanwar, Chandana Raperthi, Maheshkumar Borkar, Poonam Eknath Nale, Srinivas Pasikanti and Pedavenkatagari Narayana Reddy

Journal of Molecular Structure, 2025, 1327, 141273
DOI: 10.1016/j.molstruc.2024.141273

Discovery of a novel 4-pyridyl SLC-0111 analog targeting tumor-associated carbonic anhydrase isoform IX through tail-based design approach with potent anticancer activity

Hamada Hashem, Shadwa Abdelfattah, Hesham M. Hassan, Ahmed Al-Emam, Mohammed Alqarni, Ghallab Alotaibi, Ibrahim Taha Radwan, Kirandeep Kaur, Devendra Pratap Rao, Stefan Bräse and Abdullah Alkhammash

Front. Chem., 2025, 13
DOI: 10.3389/fchem.2025.1571646

Design, synthesis, docking, DFT, and MD simulation studies of new piperazine, 1,3,4-oxadiazole, and quinoline conjugates: A search for potent antiepileptic agents

Shrishti Tripathi, Rajnish Kumar, Abhijit Debnath, Himanshu Singh, Ranjeet Kumar Yadav and Salahuddin

Bioorganic Chemistry, 2025, 162, 108595
DOI: 10.1016/j.bioorg.2025.108595