Suchergebnisse - "molecular docking"

PubPharm (1.236)

1

Pannorin isolated from marine Penicillium sp. SG-W3: a selective monoamine oxidase A inhibitor

in: Applied Biological Chemistry | 2024

von Jong Min Oh | Qian Gao | Woong-Hee Shin | +5

2

EsigPBP3 Was the Important Pheromone-Binding Protein to Recognize Male Pheromones and Key Eucalyptus Volatiles

in: International Journal of Molecular Sciences | 2024

von Hengfei Fu | Guipeng Xiao | Zhende Yang | +1

3

EFFICIENT SYNTHESIS OF 1-(BROMOMETHYL)-3,5-DIMETHOXYBENZENE: X-RAY STRUCTURE, HIRSHFELD SURFACE ANALYSIS, DFTs, AND MOLECULAR MODELLING INVESTIGATIONS AS TYROSINASE INHIBITOR

in: Química Nova | 2024

von Aamer Saeed | Syeda Abida Ejaz | Mubashir Aziz | +7

4

Novel quinazolines bearing 1,3,4-thiadiazole-aryl urea derivative as anticancer agents: design, synthesis, molecular docking, DFT and bioactivity evaluations

in: BMC Chemistry | 2024

von Sara Masoudinia | Marjaneh Samadizadeh | Maliheh Safavi | +2

5

Discovery of dual kinase inhibitors targeting VEGFR2 and FAK: structure-based pharmacophore modeling, virtual screening, and molecular docking studies

in: BMC Chemistry | 2024

von Marwa A. Fouad | Alaa A. Osman | Noha M. Abdelhamid | +3

6

Design, molecular docking and MD simulation of novel estradiol-pyrimidine analogues as potential inhibitors of Mpro and ACE2 for COVID-19

in: Chemical Physics Impact | 2024

von Darakhshan Parveen | Ruhi Ali | M. Shaquiquzzaman | +8

7

Comparative study of the chemical composition, antioxidant, and antimicrobial activity of the essential oils extracted from Lavandula abrialis and Lavandula stoechas: in vitro and in silico analysis

in: Frontiers in Chemistry | 2024

von Mohamed Radi | Zaina Eddardar | Aziz Drioiche | +12

8

Correlation between in vitro anti-urease activity and in silico molecular modeling approach of novel imidazopyridine–oxadiazole hybrids derivatives

in: Open Chemistry | 2024

von Khan Shoaib | Hussain Rafaqat | Khan Yousaf | +3

9

Synthesis, characterization, and molecular modeling of novel 1,3,4-oxadiazole derivatives of mefenamic acid

in: Polish Journal of Chemical Technology | 2024

von Bhat Mashooq A. | Naglah Ahmed M. | Bakheit Ahmed Hassan | +1

10

Design of new α-glucosidase inhibitors through a combination of 3D-QSAR, ADMET screening, molecular docking, molecular dynamics simulations and quantum studies

in: Arabian Journal of Chemistry | 2024

von Ayoub Khaldan | Soukaina Bouamrane | Reda El-mernissi | +8

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