[HTML][HTML] Unraveling the mystery of efficacy in Chinese medicine formula: new approaches and technologies for research on pharmacodynamic substances

Y Li, Z Lin, Y Wang, S Ju, H Wu, H Jin, S Ma… - Arabian Journal of …, 2022 - Elsevier
Traditional Chinese medicine (TCM) is the key to unlock treasures of Chinese civilization.
TCM and its compound play a beneficial role in medical activities to cure diseases …

Strategies in medicinal chemistry to discover new hit compounds against ebola virus: Challenges and perspectives in drug discovery

IJ dos Santos Nascimento… - Mini Reviews in …, 2022 - ingentaconnect.com
Ebola Virus (EBOV) is an infectious disease that mainly affects the cardiovascular system. It
belongs to the Filoviridae family, consisting of filamentous envelopes and non-segmented …

Anthocyanin derivatives as potent inhibitors of SARS-CoV-2 main protease: An in-silico perspective of therapeutic targets against COVID-19 pandemic

Z Fakhar, B Faramarzi, S Pacifico… - Journal of Biomolecular …, 2021 - Taylor & Francis
A new pathogen severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has
spread worldwide and become pandemic with thousands new deaths and infected cases …

Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors

WB Cardoso, SA Mendanha - Journal of molecular structure, 2021 - Elsevier
In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible
repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular …

In silico approach of naringin as potent phosphatase and tensin homolog (PTEN) protein agonist against prostate cancer

S Muthumanickam, T Indhumathi, P Boomi… - Journal of …, 2022 - Taylor & Francis
Prostate cancer (PC) is one of the major impediments affecting men, which leads
approximately 31,620 deaths in both developing and developed countries. Although some …

EBOLApred: A machine learning-based web application for predicting cell entry inhibitors of the Ebola virus

J Adams, K Agyenkwa-Mawuli, O Agyapong… - … Biology and Chemistry, 2022 - Elsevier
Ebola virus disease (EVD) is a highly virulent and often lethal illness that affects humans
through contact with the body fluid of infected persons. Glycoprotein and matrix protein VP40 …

[HTML][HTML] Discovery of a potent candidate for ret-specific non-small-cell lung cancer—a combined in silico and in vitro strategy

P Ramesh, WH Shin, S Veerappapillai - Pharmaceutics, 2021 - mdpi.com
Rearranged during transfection (RET) is a tyrosine kinase oncogenic receptor, activated in
several cancers including non-small-cell lung cancer (NSCLC). Multiple kinase inhibitors …

Discovery of small molecule inhibitors of chikungunya virus proteins (nsP2 and E1) using in silico approaches

N Khan, R Bhat, AK Patel, P Ray - Journal of Biomolecular …, 2021 - Taylor & Francis
Chikungunya virus (CHIKV) has emerged as a major viral threat, affecting over a million
people worldwide per year. It is a vector borne disease transmitted to the human by Ades …

Exploration of Computational Aids for Effective Drug Designing and Management of Viral Diseases: A Comprehensive Review

T Khan, S Raza - Current Topics in Medicinal Chemistry, 2023 - ingentaconnect.com
Background: Microbial diseases, specifically originating from viruses are the major cause of
human mortality all over the world. The current COVID-19 pandemic is a case in point …

Combination of bendamustine-azacitidine against Syk target of breast cancer: an in silico study

S Muthumanickam, B Ramachandran… - Journal of …, 2023 - Taylor & Francis
Breast cancer (BC) is the most serious and second leading cause of death in women
worldwide. When breast cancer is diagnosed and treated early, the chance of long-term …