Results 71 to 80 of about 410,963 (188)

Influence of Benincasa hispida Peel Extracts on Antioxidant and Anti-Aging Activities, including Molecular Docking Simulation. [PDF]

Foods, 2023
Phumat P, Chaichit S, Potprommanee S, Preedalikit W, Sainakham M, Poomanee W, Chaiyana W, Kiattisin K.   +7 more
europepmc   +1 more source

Binding Investigation of Integrin αvβ3 With Its Inhibitors by SPR Technology and Molecular Docking Simulation [PDF]

, 2010
Yaqin Liu, Yuanjiang Pan, Yuhong Xu
openalex   +1 more source

High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations [PDF]

, 2010
Noriaki Okimoto, Noriyuki Futatsugi, Hideyoshi Fuji, Atsushi Suenaga, Gentaro Morimoto, Ryoko Yanai, Yosuske Ohno, Tetsu Narumi, Makoto Taiji   +8 more
openalex   +1 more source

Molecular investigation of antimicrobial peptides against Helicobacter pylori proteins using a peptide-protein docking approach

Heliyon
The impact of H. pylori resistance on patient's treatment failure is a major concern. Therefore, the development of novel or alternative therapies for H. pylori is urgently needed.
Alfizah Hanafiah, Siti Nur Arifah Abd Aziz, Zarith Nameyrra Md Nesran, Xavier Chee Wezen, Mohd Fadzli Ahmad   +4 more
doaj  

Molecular mechanism of Dang-Shen-Yu-Xing decoction against Mycoplasma bovis pneumonia based on network pharmacology, molecular docking, molecular dynamics simulations and experimental verification

Frontiers in Veterinary Science
Mycoplasma bovis pneumonia is a highly contagious respiratory infection caused by Mycoplasma bovis. It is particularly prevalent in calves, posing a significant threat to animal health and leading to substantial economic losses.
Mengmeng Yang, Mengmeng Yang, Mengmeng Yang, Fei Yang, Fei Yang, Yanan Guo, Fan Liu, Yong Li, Yanrong Qi, Lei Guo, Shenghu He   +10 more
doaj   +1 more source

Tanshinone-I for the treatment of uterine fibroids: Molecular docking, simulation, and density functional theory investigations. [PDF]

Saudi Pharm J, 2023
Tiwari A, Tiwari V, Sharma A, Singh D, Singh Rawat M, Virmani T, Virmani R, Kumar G, Kumar M, Alhalmi A, Noman OM, Mothana RA, Alali M.   +12 more
europepmc   +1 more source

Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: using an integrated homology modeling, docking, and membrane molecular dynamics simulation analysis approach [PDF]

, 2012
Changdev G. Gadhe, Gugan Kothandan, Seung Joo Cho   +2 more
openalex   +1 more source

Subtractive proteomics-based vaccine targets annotation and reverse vaccinology approaches to identify multiepitope vaccine against Plesiomonas shigelloides

Heliyon
Plesiomonas shigelloides, an aquatic bacterium belonging to the Enterobacteriaceae family, is a frequent cause of gastroenteritis with diarrhea and gastrointestinal severe disease.
Danish Rasool, Sohail Ahmad Jan, Sumra Umer Khan, Nazia Nahid, Usman Ali Ashfaq, Ahitsham Umar, Muhammad Qasim, Fatima Noor, Abdur Rehman, Kiran Shahzadi, Abdulrahman Alshammari, Metab Alharbi, Muhammad Atif Nisar   +12 more
doaj  

Agonistic effect of polyunsaturated fatty acids (PUFAs) and its metabolites on brain-derived neurotrophic factor (BDNF) through molecular docking simulation [PDF]

, 2012
Umashankar Vetrivel, Sathyabaarathi Ravichandran, Kaviarasan Kuppan, Jithu Mohanlal, Undurti N. Das, Narayanasamy Angayarkanni   +5 more
openalex   +1 more source

New Organotin (IV) Compounds Derived from Dehydroacetic Acid and Thiosemicarbazides: Synthesis, Rational Design, Cytotoxic Evaluation, and Molecular Docking Simulation. [PDF]

Bioinorg Chem Appl, 2023
Gómez E, Galván-Hidalgo JM, Pérez-Cuéllar G, Huerta-Landa KA, González-Hernández A, Gómez-García O, Andrade-Pavón D, Ramírez-Apan T, Rodríguez Hernández KD, Hernández S, Cano-Sánchez P, Gómez-Velasco H.   +11 more
europepmc   +1 more source