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[HTML][HTML] Computational methods in drug discovery
SP Leelananda, S Lindert - Beilstein journal of organic …, 2016 - beilstein-journals.org
The process for drug discovery and development is challenging, time consuming and
expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut …
expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut …
Potential neutralizing antibodies discovered for novel corona virus using machine learning
The fast and untraceable virus mutations take lives of thousands of people before the
immune system can produce the inhibitory antibody. The recent outbreak of COVID-19 …
immune system can produce the inhibitory antibody. The recent outbreak of COVID-19 …
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 - benthamdirect.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 …
human mortality all over the world. The current COVID-19 pandemic is a case in point …
Cheminformatics-based study identifies potential Ebola VP40 inhibitors
The Ebola virus (EBOV) is still highly infectious and causes severe hemorrhagic fevers in
primates. However, there are no regulatorily approved drugs against the Ebola virus disease …
primates. However, there are no regulatorily approved drugs against the Ebola virus disease …
Across the blood-brain barrier: Neurotherapeutic screening and characterization of naringenin as a novel CRMP-2 inhibitor in the treatment of Alzheimer's disease …
The discovery and developmental processes of CNS drugs have been limited by the inability
of potential drug molecules to pass through the blood-brain barrier (BBB). This presents a …
of potential drug molecules to pass through the blood-brain barrier (BBB). This presents a …
In silico approach of naringin as potent phosphatase and tensin homolog (PTEN) protein agonist against prostate cancer
Prostate cancer (PC) is one of the major impediments affecting men, which leads
approximately 31,620 deaths in both develo** and developed countries. Although some …
approximately 31,620 deaths in both develo** and developed countries. Although some …
Computational discovery of plant-based inhibitors against human carbonic anhydrase IX and molecular dynamics simulation
Carbonic anhydrase IX (hCAIX) is a membrane-spanning metalloenzyme, encoded by CA9
gene, which can lead to various carcinomas if upregulated. Due to its overexpression in …
gene, which can lead to various carcinomas if upregulated. Due to its overexpression in …
Integrated computational approach for virtual hit identification against ebola viral proteins VP35 and VP40
MU Mirza, N Ikram - International journal of molecular sciences, 2016 - mdpi.com
The Ebola virus (EBOV) has been recognised for nearly 40 years, with the most recent
EBOV outbreak being in West Africa, where it created a humanitarian crisis. Mortalities …
EBOV outbreak being in West Africa, where it created a humanitarian crisis. Mortalities …
Molecular docking based screening of compounds against VP40 from Ebola virus
Ebola virus causes severe and often fatal hemorrhagic fevers in humans. The 2014 Ebola
epidemic affected multiple countries. The virus matrix protein (VP40) plays a central role in …
epidemic affected multiple countries. The virus matrix protein (VP40) plays a central role in …
[HTML][HTML] Computational study on potential novel anti-Ebola virus protein VP35 natural compounds
Ebola virus (EBOV) is one of the most lethal pathogens that can infect humans. The Ebola
viral protein VP35 (EBOV VP35) inhibits host IFN-α/β production by interfering with host …
viral protein VP35 (EBOV VP35) inhibits host IFN-α/β production by interfering with host …