Artificial intelligence and big data facilitated targeted drug discovery

B Liu, H He, H Luo, T Zhang, J Jiang - Stroke and vascular neurology, 2019 - svn.bmj.com
Different kinds of biological databases publicly available nowadays provide us a goldmine
of multidiscipline big data. The Cancer Genome Atlas is a cancer database including …

Current therapeutic molecules and targets in neurodegenerative diseases based on in silico drug design

SA Sehgal, MA Hammad, RA Tahir… - Current …, 2018 - ingentaconnect.com
Background: As the number of elderly persons increases, neurodegenerative diseases are
becoming ubiquitous. There is currently a great need for knowledge concerning …

In Silico identification of angiotensin-converting enzyme inhibitory peptides from MRJP1

RA Tahir, A Bashir, MN Yousaf, A Ahmed, Y Dali… - PloS one, 2020 - journals.plos.org
Hypertension is considered as one of the most common diseases that affect human beings
(both male and female) due to its high prevalence and also extending widely to both …

Inflammation response of water-soluble fractions in atmospheric fine particulates: a seasonal observation in 10 large Chinese cities

H Ma, J Li, C Wan, Y Liang, X Zhang… - … science & technology, 2019 - ACS Publications
Spatiotemporal trends in pro-inflammatory (interleukin (IL)-6 and IL-8) release after
exposure to the water-soluble fractions of PM2. 5 sampled in 10 large Chinese cities over 1 …

Computer-aided drug design boosts RAS inhibitor discovery

G Wang, Y Bai, J Cui, Z Zong, Y Gao, Z Zheng - Molecules, 2022 - mdpi.com
The Rat Sarcoma (RAS) family (NRAS, HRAS, and KRAS) is endowed with GTPase activity
to regulate various signaling pathways in ubiquitous animal cells. As proto-oncogenes, RAS …

In silico elucidation of potential drug targets against oxygenase domain of Human eNOS Dysfunction

A Malik, MN Iqbal, S Ashraf, MS Khan, S Shahzadi… - Plos one, 2023 - journals.plos.org
Nitric Oxide (NO) signaling pathway plays a vital role in various physiological and
pathophysiological processes including vasodilation, neurogenesis, inflammation …

Comparative in silico analyses of Cannabis sativa, Prunella vulgaris and Withania somnifera compounds elucidating the medicinal properties against rheumatoid …

M Zaka, SA Sehgal, S Shafique, BH Abbasi - Journal of Molecular Graphics …, 2017 - Elsevier
From last decade, there has been progressive improvement in computational drug
designing. Several diseases are being cured from different plant extracts and products …

Pharmacoinformatic and molecular docking studies reveal potential novel antidepressants against neurodegenerative disorders by targeting HSPB8

SA Sehgal, S Mannan, S Ali - Drug design, development and …, 2016 - Taylor & Francis
Charcot–Marie–Tooth (CMT) disease is an inherited peripheral neuromuscular disorder
characterized by length-dependent and progressive degeneration of peripheral nerves …

The potential mechanism of Bupleurum against anxiety was predicted by network pharmacology study and molecular docking

HB Wu, YG Xiao, JS Chen, ZK Qiu - Metabolic Brain Disease, 2022 - Springer
Bupleurum chinense DC.(Chaihu) is a traditional Chinese medicine (TCM) used in the
treatment of anxiety. But the anxiolytic mechanisms of bupleurum are still unclear. Therefore …

Pharmacoinformatics and molecular docking reveal potential drug candidates against Schizophrenia to target TAAR6

RA Tahir, H Wu, N Javed, A Khalique… - Journal of cellular …, 2019 - Wiley Online Library
Schizophrenia (SZ) is a complex disabling disorder that leads to the mental disability and
afflicts 1% of the world's total population and placed in top ten medical disorders. In current …