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Cheminformatics and quantitative structure-activity relationships

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Recently Published Articles

|August 26, 2026

Gallic Acid-Rich Ephedra alata: Integrated Phytochemical Profiling, Aromatase Docking, and Optimized Extraction via Box-Behnken Design

Nadjat Chekroun-Bechlaghem, Nabila Belyagoubi-Benhammou, Zineb Kaid, Amel Zitouni, Imad Abdelhamid El Haci, Abdelghani Bouchama, Ahmed Djafri

|August 26, 2026

Design, Synthesis, and Structure-Activity Relationship Studies of Novel 3CL<sup>pro</sup> Inhibitors

Yixuan Feng, Feng Wang, Donglan Liu, Qiqi Yan, Leyuan Kang, Wenhao Zhao, Shixin Jin, Shuxiang Huang, Jincun Zhao, Ping Tian, Dingding Gao

|August 26, 2026

Potential c-Met-targeted pyrazole-pyridine-oxadiazole hybrids: synthesis, anticancer activity, and computational rationale

Prince A Dave, Jay B Maheta, Darshna K Lakhnotra, Nargis H Shaikh, Ila M Ram, Chintan P Somaiya, Tarun Parangi, Yogesh O Bhola

|August 26, 2026

Study on Synthesis, Antiproliferative Properties, Immunomodulatory Effects, and Anti-Breast Cancer Activity of New Δ<sup>2</sup>-Pyrazoline-1H-1,2,3-Triazole Derivatives

Sadiq Noor Khan, Hassan Moghtaderi, Ebrahimi Amirhossein, Saeed Mohammadi, Satya Kumar Avula, Sobia Ahsan Halim, Shahid Duran, Najeeb Ur Rehman, Shaikh Mizanoor Rahman, Ajmal Khan, René Csuk, Ali Rostami, Ahmed Al-Harrasi

|August 26, 2026

Discovery of Virulence Attenuator of Chromobacterium violaceum CV026 From Marine-Derived Fungus Aspergillus ochraceus LSD-13 by Inhibiting Quorum Sensing and Destroying Biofilm

Xinyi Li, Hui Wang, Yibo Wu, Xiaohan Ding, Shurong Guo, Shuang Gao, Shiwei Sun, Wei Wang

|August 26, 2026

Discovery of 4-aminochalcone-based dual α-glucosidase and aldose reductase inhibitors: <i>in vitro</i>, <i>in vivo</i>, and <i>in silico</i> studies

Ehsan Ullah Mughal, Nafeesa Naeem, Songül Bayrak, Namık Kılınç, Bushra Shakoor, Magdi E A Zaki, Maher Fathalla, Sobhi M Gomha, Amina Sadiq, Züleyha Almaz

|August 26, 2026

Identification and structure-activity relationship studies of clavatol as an antifungal compound against pathogenic plant fungi using a drug-hypersensitive fission yeast screening system

Aoi Kimishima, Sota Negami, Wakana Yoda, Taichi Kamo, Sota Honma, Shigehiro A Kawashima, Yoko Yashiroda, Paul Wasuwanich, Yukiko Ujie, Shin-Ichi Fuji, Toshiyuki Tokiwa, Hiroki Kojima, Akihiro Sugawara, Takumi Chinen, Takeo Usui, Yukihiro Asami