Aromatase inhibitors for the treatment of breast cancer: A journey from the scratch

P Ratre, K Mishra, A Dubey, A Vyas… - Anti-Cancer Agents …, 2020 - ingentaconnect.com
Background: Estrogens are essential for the growth of breast cancer in the case of
premenopausal as well as in postmenopausal women. However, most of the breast cancer …

Machine learning-assisted prediction of the biological activity of aromatase inhibitors and data mining to explore similar compounds

M Ishfaq, M Aamir, F Ahmad, AM Mebed… - ACS omega, 2022 - ACS Publications
Designing molecules for drugs has been a hot topic for many decades. However, it is hard
and expensive to find a new molecule. Thus, the cost of the final drug is also increased …

Effective anti-aromatase therapy to battle against estrogen-mediated breast cancer: Comparative SAR/QSAR assessment on steroidal aromatase inhibitors

N Adhikari, SK Baidya, T Jha - European Journal of Medicinal Chemistry, 2020 - Elsevier
A large number of world women populations are suffering from breast cancer. It is increasing
day by day that is quite alarming. The major reason behind breast tumors is upregulation of …

Flavonoids as promising anticancer agents: an in silico investigation of ADMET, binding affinity by molecular docking and molecular dynamics simulations

A Biharee, A Yadav, K Jangid, Y Singh… - Journal of …, 2023 - Taylor & Francis
Cancer is one of the most concerning diseases to humankind. Various treatment strategies
are being employed for its treatment, out of which use of natural products is an essential …

Innovative screening for functional improved aromatic amine derivatives: Toxicokinetics, free radical oxidation pathway and carcinogenic adverse outcome pathway

Y Liu, X Li, Q Pu, R Fu, Z Wang, Y Li, X Li - Journal of Hazardous Materials, 2023 - Elsevier
Aromatic amines, one of the most widely used low-cost antioxidants in rubbers, have been
regarded as pollutants with human health concerns. To overcome this problem, this study …

Molecular dynamics and 3D-QSAR studies on indazole derivatives as HIF-1α inhibitors

Y Singh, KS Sanjay, P Kumar, S Singh… - Journal of Biomolecular …, 2023 - Taylor & Francis
Hypoxia-inducible factor (HIF) is a transcriptional factor which plays a crucial role in tumour
metastasis thereby responsible for development of various forms of cancers. Indazole …

Pharmacophore derived 3D-QSAR, molecular docking, and simulation studies of quinoxaline derivatives as ALR2 inhibitors

Y Singh, N Kumar, S Kulkarni, S Singh… - Journal of Biomolecular …, 2023 - Taylor & Francis
Abstract Aldose Reductase 2 (ALR2), a key enzyme of the polyol pathway, plays a crucial
role in the pathogenesis of diabetic complications. Quinoxaline scaffold-based compounds …

De novo designing, assessment of target affinity and binding interactions against aromatase: discovery of novel leads as anti-breast cancer agents

SK Verma, P Ratre, AK Jain, C Liang, GD Gupta… - Structural Chemistry, 2021 - Springer
Aromatase inhibitors (AIs) have been emerged as promising anti-cancer agents for the
treatment of hormone dependent breast cancer (HDBC) in women because of their excellent …

Gaussian field-based comparative 3D QSAR modelling for the identification of favourable pharmacophoric features of chromene derivatives as selective inhibitors of …

SK Verma, N Kumar, S Thareja - Structural Chemistry, 2021 - Springer
Aldehyde reductase (ALR1) and aldose reductase (ALR2) are both oxo-reductase enzymes
of aldo-keto reductase (AKR) superfamily involved in several cellular processes. ALR1 plays …

Multifaceted 3D-QSAR analysis for the identification of pharmacophoric features of biphenyl analogues as aromatase inhibitors

L Banjare, Y Singh, SK Verma, AK Singh… - Journal of …, 2023 - Taylor & Francis
Aromatase, a cytochrome P450 enzyme, is responsible for the conversion of androgens to
estrogens, which fuel the multiplication of cancerous cells. Inhibition of estrogen …