Bio-active composition, antibacterial activity and molecular docking studies of Salicia nitida (Benth.) root extracts by Wisdom U. Ike, Okereke C. Stanley, Nosiri Ijeoma, Okamgba C. Okezie, Nwokocha W. Osita, Aguwanba Chinedu, Aaron C. Friday

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Novel thiazolyl-pyrimidine derivatives as potential anticancer agents: Synthesis, biological evaluation, and molecular docking studies by Tariq Z. Abolibda, Abdel-Aziz A.A. El-Sayed, Basant Farag, Magdi E.A. Zaki, Abdulwahed Alrehaily, Hossein M. Elbadawy, Ahmad A. Al-Shahri, Saleh R. Alsenani, Sobhi M. Gomha

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Molecular insights into the structural, spectroscopic, chemical shift characteristics, and molecular docking analysis of the carbamate insecticide fenobucarb by K. KrishnaKumar, M. Jenifer, T.J. Nandhini, M. Sridharan, G. Sabarinathan, Pallavi M. Shanthappa

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One-Pot Synthesis of Novel Furochromone and Oxazocine Derivatives as Promising Antitumor Agents with Their Molecular Docking Studies by Rita M. Borik

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Physicochemical properties and drug likeness of hydroxycinnamic acids and their molecular docking with caffeine and amoxicillin: Potential anticancer drugs by Umer Sherefedin, Abebe Belay, Kusse Gudishe, Alemu Kebede, Alemayehu Getahun Kumela, Tesfaye Feyisa, Jebel Haji Mahamud, Shallo Fekadu

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Based on network pharmacology and molecular docking to study the mechanisms of active ingredients of ginseng in the treatment of atopic dermatitis by BU Jialiang, SHEN Lin, MENG Yuan, PIAO Yingshi

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Elucidating Molecular Interactions of Natural Inhibitors with HPV-16 E6 Oncoprotein through Docking Analysis by Satish Kumar, Lingaraja Jena, Sneha Galande, Sangeeta Daf, Kanchan Mohod, Ashok K. Varma

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Exploring the Interactions Between Caffeic Acid and Human Serum Albumin Using Spectroscopic and Molecular Docking Techniques by Ali Jahanban-Esfahlan, Leila Roufegarinejad, Mahnaz Tabibiazar, José M. Lorenzo, Ryszard Amarowicz

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Exploring the mechanism of Schisandra rubriflora in the treatment of polycystic ovary syndrome based on network pharmacology and molecular docking by Zhengyan Dou, Qingxian Li, Jing Zhang, Xin Zhang

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1,5-Dichloroethanoanthracene Derivatives As Antidepressant Maprotiline Analogs: Synthesis, DFT Computational Calculations, and Molecular Docking by Mujeeb A. Sultan, Renjith Raveendran Pillai, Eman Alzahrani, Ahmed A. Alsofi, Sadam A. Al-Qadhi, Rami Adel Pashameah

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Molecular docking and quantitative structure-activity relationships for a series of Trypanosoma cruzi dihydroorotate dehydrogenase inhibitors by Gabriela Ciffeli de Jesus, Tatiana Santana Ribeiro, Adriano D. Andricopulo, Leonardo Luiz Gomes Ferreira

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Synthesis, SAR, and Docking Studies Disclose 2-Arylfuran-1,4-naphthoquinones as In Vitro Antiplasmodial Hits by Tatiane Freitas Borgati, Maria Fernanda Alves do Nascimento, Juma Fortunato Bernardino, Lunamaura Claudia Oliveira Martins, Alex Gutterres Taranto, Alaíde Braga de Oliveira

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Synthesis, Molecular Docking, Molecular Dynamic Simulation Studies, and Antitubercular Activity Evaluation of Substituted Benzimidazole Derivatives by Shankar Thapa, Mahalakshmi Suresha Biradar, Shachindra L. Nargund, Iqrar Ahmad, Mohit Agrawal, Harun Patel, Ashish Lamsal

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Deciphering the potential of plant metabolites as insecticides against melon fly (Zeugodacus cucurbitae): Exposing control alternatives to assure food security by Zinat Jahan Chowdhury, Anik Banik, Tanjin Barketullah Robin, Mohammed Rashed Chowdhury

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In-Silico Evaluation of Binding Interaction and ADME Properties of Novel Pyrazoline and Pyrimidine Derivatives Targeting Cyclooxygenase-2 Enzyme by Sarmad Abbas Fadhil, Karima Fadhil Ali, Wesen Adel Mehde

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Synthesis, antimicrobial evaluation, ADMET prediction, molecular docking and dynamics studies of pyridine and thiophene moiety-containing chalcones by Fahmida Akhter, Sumita Saznin Marufa, S. M. Anyet Ullah Shohag, Hiroshi Nishino, Mohammad Sayed Alam, Md. Aminul Haque, Mohammad Mostafizur Rahman

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Energy as the Mediator between Natural and Supernatural Realms by Kristel Kivari

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dyphAI dynamic pharmacophore modeling with AI: a tool for efficient screening of new acetylcholinesterase inhibitors by Yasser Hayek-Orduz, Dorian Armando Acevedo-Castro, Dorian Armando Acevedo-Castro, Juan Sebastián Saldarriaga Escobar, Brandon Eli Ortiz-Domínguez, María Francisca Villegas-Torres, Paola A. Caicedo, Álvaro Barrera-Ocampo, Natalie Cortes, Edison H. Osorio, Andrés Fernando González Barrios

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Design, synthesis, structural characterization, in vitro anticancer activity, and in silico studies of some new hydroxylated and fluorinated-substituted hydrazone derivatives by Reşit Çakmak, Eyüp Başaran, Ömer Erdoğan, Suraj N. Mali, Semiha Köprü, Haya Yasin, Shailesh S. Gurav, Giray Topal

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Toxic effects of monocrotophos and glyphosate on the female reproductive organ and aromatase gene expression in climbing perch by Sujata Mohapatra, Rajesh Kumar, Jitendra Kumar Sundaray, Lakshman Sahoo, Mohd Ashraf Rather, Sangita Dixit, Vasam Manohar, Kiran Rasal, Sukanta K. Pradhan, C.S.K. Mishra, Dhananjaya Mishra, SriangaTilak Patnaik

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