DeepAR: a novel deep learning-based hybrid framework for the interpretable prediction of androgen receptor antagonists
N Schaduangrat, N Anuwongcharoen… - Journal of …, 2023 - Springer
Drug resistance represents a major obstacle to therapeutic innovations and is a prevalent
feature in prostate cancer (PCa). Androgen receptors (ARs) are the hallmark therapeutic …
feature in prostate cancer (PCa). Androgen receptors (ARs) are the hallmark therapeutic …
Exploring potential Plasmodium kinase inhibitors: a combined docking, MD and QSAR studies
SG Kankinou, M Yildiz, A Kocak - Journal of Biomolecular …, 2024 - Taylor & Francis
Malaria is a disease caused mostly by Plasmodium falciparum, affects millions of people
each year. The kinases are validated targets for malaria infection. In this study, we …
each year. The kinases are validated targets for malaria infection. In this study, we …
Screening of the Antagonistic Activity of Potential Bisphenol A Alternatives toward the Androgen Receptor Using Machine Learning and Molecular Dynamics …
Z Yang, L Wang, Y Yang, X Pang, Y Sun… - Environmental …, 2024 - ACS Publications
Over the past few decades, extensive research has indicated that exposure to bisphenol A
(BPA) increases the health risks in humans. Toxicological studies have demonstrated that …
(BPA) increases the health risks in humans. Toxicological studies have demonstrated that …
Indolyl imine compounds as multi-target agents; synthesis, antidiabetic, anticholinesterase, antioxidant activities and molecular modeling
A new range of indolyl imine system 3d-l has been successfully prepared from 4, 6-
dimethoxy-2, 3-diphenyl-indole-7-carbaldehyde 2a and 4, 6-dimethoxy-3-aryl-indole-7 …
dimethoxy-2, 3-diphenyl-indole-7-carbaldehyde 2a and 4, 6-dimethoxy-3-aryl-indole-7 …
[HTML][HTML] In silico studies on the molecular interactions of steroid hormones and steroid hormone mimicking drugs in the androgen receptor binding cleft–Implications …
BA Shimmin, LG Haines, IC Shaw - Steroids, 2024 - Elsevier
Occupancy of prostate cancer (PCa) cell androgen receptors (AR) signals proliferation,
therefore testosterone biosynthesis inhibitors and AR antagonists are important PCa …
therefore testosterone biosynthesis inhibitors and AR antagonists are important PCa …
Synthesis, in vitro and in silico evaluation of indole linked carbohydrazides and 1, 3, 4-oxadiazoles as new α-glycosidase inhibitors
K Kocaman, M Bingul, SM Ceyhan, H Sahin… - Journal of Molecular …, 2024 - Elsevier
The Hemetsberger indole reaction afforded 6-methyl and methoxy substituted indole-2-
carboxylates 8 which were then reacted with an excess of hydrazine hydrate in ethanol to …
carboxylates 8 which were then reacted with an excess of hydrazine hydrate in ethanol to …
A partially open conformation of an androgen receptor ligand-binding domain with drug-resistance mutations
SK Doamekpor, P Peng, R Xu, L Ma… - … Section F: Structural …, 2023 - journals.iucr.org
Mutations in the androgen receptor (AR) ligand-binding domain (LBD) can cause resistance
to drugs used to treat prostate cancer. Commonly found mutations include L702H, W742C …
to drugs used to treat prostate cancer. Commonly found mutations include L702H, W742C …
Synthesis, biologic properties, and molecular modeling studies of bis-indole based thiosemicarbazones
The Schiff base condensation reaction of thiosemicarbazides and methylene bridged 2, 2′-
bisindolylmethanes, prepared from the acid-catalyzed condensation of 3-aryl-4, 6 …
bisindolylmethanes, prepared from the acid-catalyzed condensation of 3-aryl-4, 6 …
In Vitro, In Vivo, and In Silico Analysis of Pyraclostrobin and Cyprodinil and Their Mixture Reveal New Targets and Signaling Mechanisms
Y Kim, C Bereketoglu, O Sercinoglu… - Chemical Research in …, 2024 - ACS Publications
Pyraclostrobin and cyprodinil are broad-spectrum fungicides that are used in crops to control
diseases. However, they are excessively used and, as a result, end up in the environment …
diseases. However, they are excessively used and, as a result, end up in the environment …
[HTML][HTML] 糖皮质激素受体引起去势抵抗性前列腺癌耐药的机理及治疗
李晨帆， 康晋伟 - Hans Journal of Medicinal Chemistry, 2023 - hanspub.org
前列腺癌是威胁男性健康的重要疾病. 但在临床上, 不同的治疗手段在后期都会引起不同程度的
耐药, 其中糖皮质激素的过度表达是引起耐药的重要形式. 因此, 针对雄激素受体和糖皮质激素受 …
耐药, 其中糖皮质激素的过度表达是引起耐药的重要形式. 因此, 针对雄激素受体和糖皮质激素受 …