Suchergebnisse - "Pharmacophore"

PubPharm (4.323)

91

Cheminformatics identification of phenolics as modulators of penicillin-binding protein-3 of Pseudomonas aeruginosa towards interventive antibacterial therapy

enthalten in: Journal of biomolecular structure & dynamics | 2024

von Aribisala, J. | Sabiu, S.

92

Discovery of dual rho-associated protein kinase 1 (ROCK1)/apoptosis signal-regulating kinase 1 (ASK1) inhibitors as a novel approach for non-alcoholic steatohepatitis (NASH) treatment

enthalten in: BMC chemistry | 2024

von Zaky, Y. | Rashad, M. | Zaater, M. | +1

93

Discovery of dual rho-associated protein kinase 1 (ROCK1)/apoptosis signal–regulating kinase 1 (ASK1) inhibitors as a novel approach for non-alcoholic steatohepatitis (NASH) treatment

enthalten in: Chemistry central journal | 2024

von Zaky, Y. | Rashad, M. | Zaater, M. | +1

94

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

95

Targeting hexokinase 2 for oral cancer therapy: structure-based design and validation of lead compounds

in: Frontiers in Pharmacology | 2024

von Purbali Chakraborty | Purbali Chakraborty | Syeda Lubna | +7

96

Multidimensional Criteria for Virtual Screening of PqsR Inhibitors Based on Pharmacophore, Docking, and Molecular Dynamics

in: International Journal of Molecular Sciences | 2024

von Haichuan Xiao | Jiahao Li | Dongdong Yang | +6

97

Comprehensive in silico discovery of c-Src tyrosine kinase inhibitors in cancer treatment: A unified approach combining pharmacophore modeling, 3D QSAR, DFT, and molecular dynamics simulation

in: Journal of King Saud University: Science | 2024

von Saida Khamouli | Md. Tabish Rehman | Nadjiba Zegheb | +2

98

Comparative Structure-Based Virtual Screening Utilizing Optimized AlphaFold Model Identifies Selective HDAC11 Inhibitor

in: International Journal of Molecular Sciences | 2024

von Fady Baselious | Sebastian Hilscher | Dina Robaa | +3

99

QSAR and docking based lead optimization of nitrogen heterocycles for enhanced prostaglandin EP2 receptor agonistic potency

in: Chemical Physics Impact | 2024

von Rahul D Jawarkar | Magdi E.A. Zaki | Sami A. Al-Hussain | +6

100

Integrated virtual screening and in vitro studies for exploring the mechanism of triterpenoids in Chebulae Fructus alleviating mesaconitine-induced cardiotoxicity via TRPV1 channel

in: Frontiers in Pharmacology | 2024

von Liangliang Song | Shuo Mi | Ying Zhao | +7