[HTML][HTML] CADD, AI and ML in drug discovery: A comprehensive review

D Vemula, P Jayasurya, V Sushmitha, YN Kumar… - European Journal of …, 2023 - Elsevier
Computer-aided drug design (CADD) is an emerging field that has drawn a lot of interest
because of its potential to expedite and lower the cost of the drug development process …

Structure-based drug design strategies and challenges

X Wang, K Song, L Li, L Chen - Current Topics in Medicinal …, 2018 - ingentaconnect.com
Over the past ten years, the number of three-dimensional protein structures identified by
advanced science and technology increases, and the gene information becomes more …

Cyclooxygenase‐2 as a therapeutic target against human breast cancer: A comprehensive review

A Sahu, K Raza, D Pradhan, AK Jain… - WIREs Mechanisms of …, 2023 - Wiley Online Library
Abstract Cyclooxygenase‐2 (COX‐2) is a key aspect of the physiology and pathogenesis of
various cancer types. Overexpression of this enzyme is responsible for the elevated …

In-silico and in-vitro study reveals Ziprasidone as a potential aromatase inhibitor against breast carcinoma

A Sahu, S Ahmad, K Imtiyaz… - Scientific Reports, 2023 - nature.com
Aromatase enzyme plays a fundamental role in the development of estrogen receptors, and
due to this functionality, the enzyme has gained significant attention as a therapeutic for …

Impact of ErbB receptors and anticancer drugs against breast cancer: a review

A Sahu, S Verma, M Varma… - Current Pharmaceutical …, 2022 - ingentaconnect.com
Human EGFR (epidermal growth factor receptor) family of tyrosine kinase receptors consists
of four members, ErbB1-4. Abnormalities in the ErbB family characterize a variety of human …

NEDD4 family of E3 ubiquitin ligases in breast cancer: spotlight on SMURFs, WWPs and NEDD4

G Butt, I Yaylim, R Attar, A Aras, MA Romero… - … Cancer Metastasis and …, 2019 - Springer
Massively parallel sequencing, genomic and proteomic technologies have provided near
complete resolution of signaling landscape of breast cancer (BCa). NEDD4 family of E3 …

Ligand-based pharmacophore screening strategy: A pragmatic approach for targeting HER proteins

N James, K Ramanathan - Applied biochemistry and biotechnology, 2018 - Springer
Targeting ErbB family of receptors is an important therapeutic option, because of its
essential role in the broad spectrum of human cancers, including non-small cell lung cancer …

Ab initio modeling of human IRS1 protein to find novel target to dock with drug MH to mitigate T2DM diabetes by insulin signaling

RK Singh, AK Chaurasiya, A Kumar - 3 Biotech, 2024 - Springer
IRS1 is a cytoplasmic adaptor protein that helps in cellular growth, glucose metabolism,
proliferation, and differentiation. Highly disordered (insulin receptor substrate 1) IRS1 …

Computational screening for finding new potent COX-2 inhibitors as anticancer agents

A Sahu, S Verma, D Pradhan, K Raza… - Letters in Drug …, 2023 - ingentaconnect.com
Background: Breast cancer ranks first in women and is the second most common type of
cancer overall. It is the most important barrier to the rise of life expectancy, globally affecting …

Drug discovery paradigms: target-based drug discovery

C Herrera-Acevedo, C Perdomo-Madrigal… - Drug target selection …, 2022 - Springer
Target-based drug discovery tools have been used with success in the pharmaceutical
industry. They have become the fundamental methodologies for discovering new drugs in …