Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …
companies and chemical scientists. However, low efficacy, off-target delivery, time …
Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries
C Selvaraj, I Chandra, SK Singh - Molecular diversity, 2021 - Springer
The global spread of COVID-19 has raised the importance of pharmaceutical drug
development as intractable and hot research. Developing new drug molecules to overcome …
development as intractable and hot research. Developing new drug molecules to overcome …
Artificial intelligence, big data and machine learning approaches in precision medicine & drug discovery
A Nayarisseri, R Khandelwal, P Tanwar… - Current drug …, 2021 - ingentaconnect.com
Artificial Intelligence revolutionizes the drug development process that can quickly identify
potential biologically active compounds from millions of candidate within a short period. The …
potential biologically active compounds from millions of candidate within a short period. The …
Shape-based machine learning models for the potential novel COVID-19 protease inhibitors assisted by molecular dynamics simulation
A Nayarisseri, R Khandelwal… - Current topics in …, 2020 - ingentaconnect.com
Background: The vast geographical expansion of novel coronavirus and an increasing
number of COVID-19 affected cases have overwhelmed health and public health services …
number of COVID-19 affected cases have overwhelmed health and public health services …
[HTML][HTML] An in silico approach to identify high affinity small molecule targeting m-TOR inhibitors for the clinical treatment of breast cancer
K Patidar, U Panwar, S Vuree, J Sweta… - Asian Pacific journal …, 2019 - ncbi.nlm.nih.gov
Breast cancer is the most frequent malignancy among women. It is a heterogeneous disease
with different subtypes defined by its hormone receptor. A hormone receptor is mainly …
with different subtypes defined by its hormone receptor. A hormone receptor is mainly …
[HTML][HTML] The role of artificial intelligence in the development of anticancer therapeutics from natural polyphenols: Current advances and future prospects
Y Zheng, Y Ma, Q Xiong, K Zhu, N Weng… - Pharmacological Research, 2024 - Elsevier
Natural polyphenols, abundant in the human diet, are derived from a wide variety of sources.
Numerous preclinical studies have demonstrated their significant anticancer properties …
Numerous preclinical studies have demonstrated their significant anticancer properties …
Target-based small molecule drug discovery for colorectal cancer: a review of molecular pathways and in silico studies
Colorectal cancer is one of the most prevalent cancer types. Although there have been
breakthroughs in its treatments, a better understanding of the molecular mechanisms and …
breakthroughs in its treatments, a better understanding of the molecular mechanisms and …
Structure-based virtual screening, molecular docking, and molecular dynamics simulation of VEGF inhibitors for the clinical treatment of ovarian cancer
Vascular endothelial growth factor (VEGF) and its receptor play an important role both in
physiologic and pathologic angiogenesis, which is identified in ovarian cancer progression …
physiologic and pathologic angiogenesis, which is identified in ovarian cancer progression …
[HTML][HTML] Design of PD-L1 inhibitors for lung cancer
The progression of lung cancer is associated with inactivation of programmed cell death
protein 1, abbreviated as PD-1 which regulates the suppression of the body's immune …
protein 1, abbreviated as PD-1 which regulates the suppression of the body's immune …
Structure-based virtual screening, molecular docking, molecular dynamics simulation and pharmacokinetic modelling of cyclooxygenase-2 (COX-2) inhibitor for the …
Colorectal cancer is the third most frequent cause of cancer worldwide and is more
prevalent in older individuals of all ages. The recent statistics from World Health …
prevalent in older individuals of all ages. The recent statistics from World Health …