discovery of anti-ebola virus multi-target inhibitors from traditional chinese medicine database using molecular screening, biophysical investigation, and binding free energy calculations

Abbas Khan; Abrar Mohammad Sayaf; Anwar Mohammad; Fahad M. Alshabrmi; Tarek Benameur; Dong-Qing Wei; Kar Kheng Yeoh; Abdelali Agouni

doi:10.1016/j.jiph.2024.102636

discovery of anti-ebola virus multi-target inhibitors from traditional chinese medicine database using molecular screening, biophysical investigation, and binding free energy calculations

Abbas Khan
, Abrar Mohammad Sayaf
, Anwar Mohammad
, Fahad M. Alshabrmi
, Tarek Benameur
, Dong-Qing Wei
, Kar Kheng Yeoh
, Abdelali Agouni

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Original language	American English
Journal	Journal of Infection and Public Health
Volume	18
Issue number	2
DOIs	https://doi.org/10.1016/j.jiph.2024.102636
State	Published - 2025
Externally published	Yes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 3 Good Health and Well-being

Funding Agency

Kuwait Foundation for the Advancement of Sciences

Access to Document

10.1016/j.jiph.2024.102636

Cite this

Khan, A., Sayaf, A. M., Mohammad, A., Alshabrmi, F. M., Benameur, T., Wei, D.-Q., Yeoh, K. K., & Agouni, A. (2025). discovery of anti-ebola virus multi-target inhibitors from traditional chinese medicine database using molecular screening, biophysical investigation, and binding free energy calculations. Journal of Infection and Public Health, 18(2). https://doi.org/10.1016/j.jiph.2024.102636

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title = "discovery of anti-ebola virus multi-target inhibitors from traditional chinese medicine database using molecular screening, biophysical investigation, and binding free energy calculations",

author = "Abbas Khan and Sayaf, \{Abrar Mohammad\} and Anwar Mohammad and Alshabrmi, \{Fahad M.\} and Tarek Benameur and Dong-Qing Wei and Yeoh, \{Kar Kheng\} and Abdelali Agouni",

year = "2025",

doi = "10.1016/j.jiph.2024.102636",

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Khan, A, Sayaf, AM, Mohammad, A, Alshabrmi, FM, Benameur, T, Wei, D-Q, Yeoh, KK & Agouni, A 2025, 'discovery of anti-ebola virus multi-target inhibitors from traditional chinese medicine database using molecular screening, biophysical investigation, and binding free energy calculations', Journal of Infection and Public Health, vol. 18, no. 2. https://doi.org/10.1016/j.jiph.2024.102636

discovery of anti-ebola virus multi-target inhibitors from traditional chinese medicine database using molecular screening, biophysical investigation, and binding free energy calculations. / Khan, Abbas; Sayaf, Abrar Mohammad; Mohammad, Anwar et al.
In: Journal of Infection and Public Health, Vol. 18, No. 2, 2025.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - discovery of anti-ebola virus multi-target inhibitors from traditional chinese medicine database using molecular screening, biophysical investigation, and binding free energy calculations

AU - Khan, Abbas

AU - Sayaf, Abrar Mohammad

AU - Mohammad, Anwar

AU - Alshabrmi, Fahad M.

AU - Benameur, Tarek

AU - Wei, Dong-Qing

AU - Yeoh, Kar Kheng

AU - Agouni, Abdelali

PY - 2025

Y1 - 2025

U2 - 10.1016/j.jiph.2024.102636

DO - 10.1016/j.jiph.2024.102636

M3 - Article

C2 - 39798213

SN - 1876-0341

VL - 18

JO - Journal of Infection and Public Health

JF - Journal of Infection and Public Health

IS - 2

ER -