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Molecular docking

Rosmarinic Acid, Active Component of Dansam-Eum Attenuates Ototoxicity of Cochlear Hair Cells through Blockage of Caspase-1 Activity

Hyun-Ja Jeong, Youngjin Choi, [ ... ], Hyung-Min Kim

Chemical profile of Lippia thymoides, evaluation of the acetylcholinesterase inhibitory activity of its essential oil, and molecular docking and molecular dynamics simulations

Sebastião Gomes Silva, Renato Araújo da Costa, [ ... ], Eloisa Helena de Aguiar Andrade

Molecular mechanisms involved in drug-induced liver injury caused by urate-lowering Chinese herbs: A network pharmacology study and biology experiments

Fan Li, Yi-Zhu Dong, [ ... ], Bing Zhang

A Network-Based Multi-Target Computational Estimation Scheme for Anticoagulant Activities of Compounds

Qian Li, Xudong Li, [ ... ], Xiaojie Xu

Integrated network pharmacology and molecular modeling approach for the discovery of novel potential MAPK3 inhibitors from whole green jackfruit flour targeting obesity-linked diabetes mellitus

Tejaswini Maradesha, Reshma Mary Martiz, [ ... ], Ramith Ramu

A Comprehensive Spectroscopic and Computational Investigation to Probe the Interaction of Antineoplastic Drug Nordihydroguaiaretic Acid with Serum Albumins

Saima Nusrat, Mohammad Khursheed Siddiqi, [ ... ], Rizwan Hasan Khan

Substrate Specificity Provides Insights into the Sugar Donor Recognition Mechanism of O-GlcNAc Transferase (OGT)

Xiaofeng Ma, Pi Liu, [ ... ], Lianwen Zhang

Structural and Biochemical Characterization of the Cop9 Signalosome CSN5/CSN6 Heterodimer

Melissa Birol, Radoslav Ivanov Enchev, [ ... ], Aude Echalier

Molecular Insights into the pH-Dependent Adsorption and Removal of Ionizable Antibiotic Oxytetracycline by Adsorbent Cyclodextrin Polymers

Yu Zhang, Xiyun Cai, [ ... ], Jingwen Chen

Antitubercular activity assessment of fluorinated chalcones, 2-aminopyridine-3-carbonitrile and 2-amino-4H-pyran-3-carbonitrile derivatives: In vitro, molecular docking and in-silico drug likeliness studies

Surendra Babu Lagu, Rajendra Prasad Yejella, [ ... ], Afzal Basha Shaik

A One Pot Synthesis of Novel Bioactive Tri-Substitute-Condensed-Imidazopyridines that Targets Snake Venom Phospholipase A₂

Nirvanappa C. Anilkumar, Mahalingam S. Sundaram, [ ... ], Kanchugarakoppal S. Rangappa

Molecular Mechanism of Inhibition of the Mitochondrial Carnitine/Acylcarnitine Transporter by Omeprazole Revealed by Proteoliposome Assay, Mutagenesis and Bioinformatics

Annamaria Tonazzi, Ivano Eberini, Cesare Indiveri

Plasmodium falciparum Aminopeptidases, M1, M17 and M18">Screening the Medicines for Malaria Venture "Malaria Box" against the Plasmodium falciparum Aminopeptidases, M1, M17 and M18

Alessandro Paiardini, Rebecca S. Bamert, [ ... ], Sheena McGowan

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