In silico study of new bis-3R, 4R′-5-(((1H-1,2,4-triazole-5-yl)thio)methyl)-4H-1,2,4-triazole-3-thione derivatives by Ye. O. Karpun, Yu. V. Karpenko, V. V. Parchenko, O. I. Panasenko

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Comparison of In Silico AChE Inhibitory Potentials of Some Donepezil Analogues by Mehmet Koca

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Establishing Detection Methods for Okadaic Acid Aptamer–Target Interactions: Insights from Computational and Experimental Approaches by Wenchong Shan, Jiefang Sun, Runqing Liu, Jing Wang, Bing Shao

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Bioinformatics and computational studies of marine natural products in identifying novel VEGFR-2 inhibitors for breast cancer treatment by Umar Yousuf, Humairah Tabasum, Urooj Un Nissa, Shazia Gul, Mushtaq A. Mir, Nasreena Bashir, Venkatramanan Varadharajan, Tanvir Ul Hassan Dar, Masood Ahmad Rizvi, Basharat Ahmad Bhat

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Exploration of Antidiabetic Activity of the Whole Plant Extract of Eclipta prostrata by In Silico, In Vitro, and In Vivo Methods by Maniza Muni, Mst. Morsheda Akter Mim, Fahima Aktar, Syeda Sadia Afrin, Safaet Alam, Al Amin Sikder, Jakir Ahmed Chowdhury, Abu Asad Chowdhury, Shaila Kabir, Md. Zakir Sultan, Md. Shah Amran

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A novel small molecule that enhances lysyl hydroxylase 2 activity and matrix mineralization by Saori Tomiku, Atsushi Kasamatsu, Reo Fukushima, Tomoaki Saito, Ryunosuke Nozaki, Akiko Suganami, Yutaka Tamura, Mitsuo Yamauchi, Katsuhiro Uzawa

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M01 tool: an automated, comprehensive computational tool for generating small molecule-peptide hybrids and docking them into curated protein structures by Mahsa Sheikholeslami, Mohammad Hasan Nazari, Afshin Fassihi

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In Vitro Evaluation of Novel Furo[3,2-<i>c</i>]coumarins as Cholinesterases and Monoamine Oxidases Inhibitors by Mariagrazia Rullo, Alice Benzi, Lara Bianchi, Massimo Maccagno, Guglielmo Marcantoni Taddei, Daniela Valeria Miniero, Giuseppe Felice Mangiatordi, Giovanni Lentini, Leonardo Pisani, Giovanni Petrillo, Cinzia Tavani

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<i>Chaetomorpha linum</i> Extract as a Source of Antimicrobial Compounds: A Circular Bioeconomy Approach by Roberta Barletta, Alfonso Trezza, Michela Geminiani, Luisa Frusciante, Tommaso Olmastroni, Filomena Sannio, Jean-Denis Docquier, Annalisa Santucci

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Docking Simulations of G-Protein Coupled Receptors Uncover Crossover Binding Patterns of Diverse Ligands to Angiotensin, Alpha-Adrenergic and Opioid Receptors: Implications for Car... by Harry Ridgway, Graham J. Moore, Laura Kate Gadanec, John M. Matsoukas

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Comprehensive multispectral and computational study of isoxazolidine derivative ‘ISoXD3’: Synthesis, spectral characteristics, DNA binding, and comparative effects of allyl and pro... by Ibrahim A. Alhagri, Siwar Ghannay, Norah A. Al-Suwailem, Rania Hussien Al-Ashwal, Sadeq M. AlHazmy, Sabri Messaoudi, Kaiss Aouadi

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Characterization of Oxygenated Propenylbenzene Derivatives Binding to MAO-A Using Isothermal Titration Calorimetry and Molecular Modeling by Joanna Grzelczyk, Horacio Pérez-Sánchez, Miguel Carmena-Bargueño, Ilona Gałązka-Czarnecka, Grażyna Budryn, Dawid Hernik, Elisabetta Brenna, Filip Boratyński

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Simulasi Inhibisi Aktivitas Enzim α-Amilase dan α-Glukosidase oleh Senyawa Bioaktif Mikroalga Spirulina platensis by Syafrizayanti Syafrizayanti, Adetya Putri, Marniati Salim, Arif Juliari Kusnanda

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Phytochemical compositions and cytotoxic activity of Conamomum vietnamense rhizome fractionated extract: in vitro and in silico screenings by Van Chen Tran, Minh Kiep Do, Nguyen Bao Tran Pham, Linh Tu Vo, Nguyen Cong Luan Pham, Thi Thu Hien Nguyen, Thanh Triet Nguyen

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Sclareol exerts an anti-inflammatory effect, possibly through COXs inhibition pathway: In vivo and in silico studies by Abdullah Al Shamsh Prottay, Mehedi Hasan Bappi, Md Showkoth Akbor, Afia Ibnath Asha, Md Shimul Bhuia, Aqib Adnan Shafin, Md Nayem Mia, Mohammad S. Mubarak, Micheline de Azevedo Lima, Henrique Douglas Melo Coutinho, Muhammad Torequl Islam

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Interaction of vitamin D, homocystein and dental diseases by Ye. O. Karpun, Yu. V. Karpenko, M. V. Parchenko, O. A. Bihdan

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Evaluation of antioxidant, antimicrobial, antidiabetic, anti-tyrosinase, and neuroprotective effects of β-ionone: in vitro and in silico analysis by Jihane Touhtouh, Mustapha Laghmari, Taoufiq Benali, Tarik Aanniz, Mohamed Akhazzane, Khang Wen Goh, Waleed Al Abdulmonem, Abdelhakim Bouyahya, Gokhan Zengin, Khalil Hammani

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In silico study of possible Marburg virus VP35 inhibitors using structure based virtual screening, ADMET, stability approach via DFT and molecular dynamics simulations by Mohamed Mouadh Messaoui, Mebarka Ouassaf, Nada Anede, Shafi Ullah Khan, Kannan R.R. Rengasamy, Bader Y. Alhatlani

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Mitochondrial FIS1 As a Novel Drug Target for the Treatment of Erectile Dysfunction: A Multi-Omic and Epigenomic Association Study by Tianle Zhu, Pan Gao, Yukuai Ma, Peng Yang, Zhi Cao, Jingjing Gao, Junhua Du, Hui Jiang, Xiansheng Zhang

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Targeted search of hypoglycemic agents among N-substituted isoindoline-1,3-diones and its analogues by Yu. V. Martynenko, M. S. Kazunin, O. M. Antypenko, Ye. A. Selivanova, S. I. Kovalenko, S. D. Trzhetsynskyi

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