Thiosemicarbazide derivatives targeting human topoIIα and IDO-1 as small-molecule drug candidates for breast cancer treatment

B Kaproń, R Czarnomysy, D Radomska… - International Journal of …, 2023 - mdpi.com
In 2020, breast cancer became the most frequently diagnosed type of cancer, with nearly 2.3
million new cases diagnosed. However, with early diagnosis and proper treatment, breast …

Multi-targeting approach for nsp3, nsp9, nsp12 and nsp15 proteins of SARS-CoV-2 by Diosmin as illustrated by molecular docking and molecular dynamics simulation …

S Kumar, PP Sharma, C Upadhyay, P Kempaiah… - Methods, 2021 - Elsevier
Novel coronavirus SARS-CoV-2 continues to spread rapidly worldwide and causing serious
health and economic loss. In the absence of any effective treatment, various in-silico …

Synthetic approaches, anticancer potential, HSP90 inhibition, multitarget evaluation, molecular modeling and apoptosis mechanistic study of thioquinazolinone …

HW El-Shafey, RM Gomaa, SM El-Messery… - Bioorganic Chemistry, 2020 - Elsevier
New series of compounds bearing 2-thioquinazolinone scaffold were designed, synthesized
as HSP90 inhibitors. Anti-proliferative activity of the synthesized compounds was evaluated …

Synthesis, in silico studies, and in vitro anti-inflammatory activity of novel imidazole derivatives targeting P38 MAP kinase

A Awasthi, MA Rahman, M Bhagavan Raju - ACS omega, 2023 - ACS Publications
A series of eight novel N-substituted [4-(trifluoro methyl)-1 H-imidazole-1-yl] amide
derivatives (AA1–AA8) were synthesized, characterized, and evaluated for their in vitro p38 …

High-throughput virtual screening approach involving pharmacophore mapping, ADME filtering, molecular docking and MM-GBSA to identify new dual target inhibitors of Pf …

R Rawat, SM Verma - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
Emerging cases of drug resistance against Artemisinin combination therapies which are the
current and the last line of defense against malaria makes the situation very alarming. Due …

[HTML][HTML] HDAC/MIF dual inhibitor inhibits NSCLC cell survival and proliferation by blocking the AKT pathway

F Cao, Z Xiao, S Chen, C Zhao, D Chen, HJ Haisma… - Bioorganic …, 2021 - Elsevier
Non-small-cell lung carcinoma (NSCLC) is one of the most common forms of lung cancer,
and a leading cause of cancer death among human beings. There is an urgent demand for …

Rethinking therapeutic strategies of dual‐target drugs: An update on pharmacological small‐molecule compounds in cancer

Y Yang, Y Mou, LX Wan, S Zhu, G Wang… - Medicinal Research …, 2024 - Wiley Online Library
Oncogenes and tumor suppressors are well‐known to orchestrate several signaling
cascades, regulate extracellular and intracellular stimuli, and ultimately control the fate of …

Synthesis and molecular docking of N, N′-disubstituted thiourea derivatives as novel aromatase inhibitors

R Pingaew, V Prachayasittikul, N Anuwongcharoen… - Bioorganic …, 2018 - Elsevier
A three series of thioureas, monothiourea type I (4a–g), 1, 4-bisthiourea type II (5a–h) and 1,
3-bisthiourea type III (6a–h) were synthesized. Their aromatase inhibitory activities have …

1,2,4‐Triazole benzamide derivative TPB against Gaeumannomyces graminis var. tritici as a novel dual‐target fungicide inhibiting ergosterol synthesis and adenine …

L Wang, X Song, Y Cheng, S Cheng… - Pest Management …, 2024 - Wiley Online Library
Abstract BACKGROUND Isopropyl 4‐(2‐chloro‐6‐(1 H‐1, 2, 4‐triazol‐1‐yl) benzamido)
benzoate (TPB) was a 1, 2, 4‐triazole benzoyl arylamine derivative with excellent antifungal …

Drug–drug conjugates of MEK and Akt inhibitors for RAS-mutant cancers

H Fujita, S Arai, H Arakawa, K Hamamoto… - Bioorganic & Medicinal …, 2024 - Elsevier
Controlling RAS mutant cancer progression remains a significant challenge in developing
anticancer drugs. Whereas Ras G12C-covalent binders have received clinical approval, the …