Results 21 to 30 of about 256,731 (319)

Algorithm Selection for Protein-Ligand Docking: A Case Study on ACE with AutoDock

, 2022
The present study investigates the use of algorithm selection for automatically choosing an algorithm for any given protein-ligand docking task. In drug discovery and design process, conceptualizing protein-ligand binding is a major problem.
Tian-Lai, Chen, Mustafa, Misir, Huiyuan, Zhou, Floyd, Beckford, Xiwen, Shu   +4 more
core   +1 more source

Biological Investigation of 2-Thioxo-benzo[g]quinazolines against Adenovirus Type 7 and Bacteriophage Phi X174: An In Vitro Study

Current Issues in Molecular Biology, 2023
Mortality and morbidity caused by viruses are a global health problems. Therefore, there is always a need to create novel therapeutic agents and refine existing ones to maximize their efficacy. Our lab has produced benzoquinazolines derivatives that have
Hatem A. Abuelizz, Ahmed H. Bakheit, Mohamed Marzouk, Waled M. El-Senousy, Mohamed M. Abdellatif, Essam E. Ali, Gamal A. E. Mostafa, Rashad Al-Salahi   +7 more
doaj   +1 more source

Synthesis and Antimycobacterial Activity of 2,5-Disubstituted and 1,2,5-Trisubstituted Benzimidazoles

Frontiers in Chemistry, 2020
The appearance of drug-resistant strains of Mycobacterium tuberculosis and the dramatic increase in infection rates worldwide evidences the urgency of developing new and effective compounds for treating tuberculosis. Benzimidazoles represent one possible
Rogelio Jiménez-Juárez, Wendy Cruz-Chávez, Nayeli de Jesús-Ramírez, Guadalupe Ivonne Castro-Ramírez, Itzel Uribe-González, Gabriela Martínez-Mejía, Ricardo Ruiz-Nicolás, Charmina Aguirre-Alvarado, Charmina Aguirre-Alvarado, Nayeli Shantal Castrejón-Jiménez, Nayeli Shantal Castrejón-Jiménez, Blanca Estela García-Pérez   +11 more
doaj   +1 more source

Anti-Inflammatory, Anti-Oxidant, GC-MS Profiling and Molecular Docking Analyses of Non-Polar Extracts from Five Salsola Species

Separations, 2023
Genus Salsola (family Amaranthaceae) is one of the most prevailing genera in Saudi Arabia. Although several species were reported for their traditional uses, the majority of Salsola species still need to be phytochemically and biologically explored.
Ahlam Elwekeel, Marwa H. A. Hassan, Ebtihaj Almutairi, Maryam AlHammad, Farah Alwhbi, Mohamed Sadek Abdel-Bakky, Elham Amin, Enas I. A. Mohamed   +7 more
doaj   +1 more source

Molecular Docking, Drug likeness Studies and ADMET prediction of Flavonoids as Platelet-Activating Factor (PAF) Receptor Binding [PDF]

Chemical Review and Letters, 2021
Studies and scientific research indicate that the platelet-activating factor (PAF) is a major pro-inflammatory mediator in the initiation and development of cancer.
Mohammed BOUACHRINE, Larbi Elmchichi, Abdellah El Aissouq, Assia BELHASSAN, Hanane Zaki, Abdelkrim Ouammou, Tahar Lakhlifi   +6 more
doaj   +1 more source

Interface Between Bioinformatics and Docking Study

ChemInform, 2007
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Hiroki, Shirai, Masato, Kobori
openaire   +3 more sources

Biologically Potent Benzimidazole-Based-Substituted Benzaldehyde Derivatives as Potent Inhibitors for Alzheimer’s Disease along with Molecular Docking Study

Pharmaceuticals, 2023
Twenty-one analogs were synthesized based on benzimidazole, incorporating a substituted benzaldehyde moiety (1–21). These were then screened for their acetylcholinesterase and butyrylcholinesterase inhibition profiles.
Bushra Adalat, Fazal Rahim, Wajid Rehman, Zarshad Ali, Liaqat Rasheed, Yousaf Khan, Thoraya A. Farghaly, Sulaiman Shams, Muhammad Taha, Abdul Wadood, Syed A. A. Shah, Magda H. Abdellatif   +11 more
doaj   +1 more source

New Alpha-Amylase Inhibitory Metabolites from Pericarps of Garcinia mangostana

Life, 2022
Two new benzophenones: garcimangophenones A (6) and B (7) and five formerly reported metabolites were purified from the pericarps EtOAc fraction of Garcinia mangostana ((GM) Clusiaceae).
Nabil Abdulhafiz Alhakamy, Gamal Abdallah Mohamed, Usama Ahmed Fahmy, Basma Ghazi Eid, Osama Abdelhakim Aly Ahmed, Mohammed Wanees Al-Rabia, Amgad Ibrahim Mansour Khedr, Mohammed Zahid Nasrullah, Sabrin Ragab Mohamed Ibrahim   +8 more
doaj   +1 more source

Synthesis, Cytotoxic Activity, Crystal Structure, DFT, Molecular Docking Study of β-Enaminonitrile Incorporating 1H-Benzo[f]Chromene Moiety

Crystals, 2022
In this work, we used microwave irradiation conditions to synthesize β-enaminonitrile (4), which was affirmed using single crystal X-ray diffraction and the different spectral data.
Mosa H. Alsehli, Lali M. Al-Harbi, Rawda M. Okasha, Ahmed M. Fouda, Hazem A. Ghabbour, Abd El-Galil E. Amr, Ahmed A. Elhenawy, Ahmed M. El-Agrody   +7 more
doaj   +1 more source

A Novel Nanoemulsion Formula for an Improved Delivery of a Thalidomide Analogue to Triple-Negative Breast Cancer; Synthesis, Formulation, Characterization and Molecular Studies

International Journal of Nanomedicine, 2023
Noran M Tawfik,1,2 Mohammed S Teiama,3,4 Sameh Samir Iskandar,5 Ahmed Osman,1,6 Sherif F Hammad7,8 1Biotechnology Program, Basic and Applied Sciences Institute, Egypt-Japan University of Science and Technology, Alexandria, Egypt; 2Department of Zoology ...
Tawfik NM, Teiama MS, Iskandar SS, Osman A, Hammad SF   +4 more
doaj