Machine learning and artificial intelligence: a paradigm shift in big data-driven drug design and discovery
Background: The lengthy and expensive process of developing a novel medicine often takes
many years and entails a significant financial burden due to its poor success rate …
many years and entails a significant financial burden due to its poor success rate …
Recent advancements in NS5B inhibitors (2011-2021): Structural insights, SAR studies and clinical status
About 130–150 million people worldwide are chronically infected with the hepatitis C virus
(HCV), and this infection can lead to serious liver problems such as cirrhosis, hepatocellular …
(HCV), and this infection can lead to serious liver problems such as cirrhosis, hepatocellular …
Insight into potent TLR2 inhibitors for the treatment of disease caused by Mycoplasma pneumoniae based on machine learning approaches
Mycoplasma pneumoniae (MP) is one of the most common pathogens that causes acute
respiratory tract infections. Children experiencing MP infection often suffer severe …
respiratory tract infections. Children experiencing MP infection often suffer severe …
ABCpred: a webserver for the discovery of acetyl-and butyryl-cholinesterase inhibitors
AA Malik, SC Ojha, N Schaduangrat… - Molecular Diversity, 2022 - Springer
Alzheimer's disease (AD) is one of the most common forms of dementia and is associated
with a decline in cognitive function and language ability. The deficiency of the cholinergic …
with a decline in cognitive function and language ability. The deficiency of the cholinergic …
[HTML][HTML] In silico anti-viral assessment of phytoconstituents in a traditional (Siddha Medicine) polyherbal formulation–Targeting Mpro and pan-coronavirus post-fusion …
Background and aim Novel nature of the viral pathogen SARS-CoV-2 and the absence of
standard drugs for treatment, have been a major challenge to combat this deadly infection …
standard drugs for treatment, have been a major challenge to combat this deadly infection …
StackHCV: a web-based integrative machine-learning framework for large-scale identification of hepatitis C virus NS5B inhibitors
AA Malik, W Chotpatiwetchkul… - Journal of Computer …, 2021 - Springer
Fast and accurate identification of inhibitors with potency against HCV NS5B polymerase is
currently a challenging task. As conventional experimental methods is the gold standard …
currently a challenging task. As conventional experimental methods is the gold standard …
Mpropred: A machine learning (ML) driven Web-App for bioactivity prediction of SARS-CoV-2 main protease (Mpro) antagonists
N Ferdous, MN Reza, MU Hossain, S Mahmud… - Plos one, 2023 - journals.plos.org
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic emerged in
2019 and still requiring treatments with fast clinical translatability. Frequent occurrence of …
2019 and still requiring treatments with fast clinical translatability. Frequent occurrence of …
First report on chemometrics-driven multilayered lead prioritization in addressing oxysterol-mediated overexpression of G protein-coupled receptor 183
A Bhattacharjee, S Kar, PK Ojha - Molecular Diversity, 2024 - Springer
Contemporary research has convincingly demonstrated that upregulation of G protein-
coupled receptor 183 (GPR183), orchestrated by its endogenous agonist, 7α, 25 …
coupled receptor 183 (GPR183), orchestrated by its endogenous agonist, 7α, 25 …
ERpred: a web server for the prediction of subtype-specific estrogen receptor antagonists
Estrogen receptors alpha and beta (ERα and ERβ) are responsible for breast cancer
metastasis through their involvement of clinical outcomes. Estradiol and hormone …
metastasis through their involvement of clinical outcomes. Estradiol and hormone …
[HTML][HTML] PARP1pred: a web server for screening the bioactivity of inhibitors against DNA repair enzyme PARP-1
Cancer is the leading cause of death worldwide, resulting in the mortality of more than 10
million people in 2020, according to Global Cancer Statistics 2020. A potential cancer …
million people in 2020, according to Global Cancer Statistics 2020. A potential cancer …