Rational design of multitarget-directed ligands: strategies and emerging paradigms

J Zhou, X Jiang, S He, H Jiang, F Feng… - Journal of medicinal …, 2019 - ACS Publications
Due to the complexity of multifactorial diseases, single-target drugs do not always exhibit
satisfactory efficacy. Recently, increasing evidence indicates that simultaneous modulation …

Unlocking the potential of HK2 in cancer metabolism and therapeutics

SN Garcia, RC Guedes… - Current medicinal …, 2019 - ingentaconnect.com
Glycolysis is a tightly regulated process in which several enzymes, such as Hexokinases
(HKs), play crucial roles. Cancer cells are characterized by specific expression levels of …

Polypharmacology by design: a medicinal chemist's perspective on multitargeting compounds

E Proschak, H Stark, D Merk - Journal of medicinal chemistry, 2018 - ACS Publications
Multitargeting compounds comprising activity on more than a single biological target have
gained remarkable relevance in drug discovery owing to the complexity of multifactorial …

Developing an anticancer platinum (II) compound based on the uniqueness of human serum albumin

Z Zhang, J Zhang, T Yang, S Li, G Xu… - Journal of Medicinal …, 2023 - ACS Publications
To develop the next-generation Pt drug with remarkable activity and low toxicity to maximally
inhibit tumor growth, we optimized a Pt (II) thiosemicarbazone compound (C4) with …

[HTML][HTML] TranSynergy: Mechanism-driven interpretable deep neural network for the synergistic prediction and pathway deconvolution of drug combinations

Q Liu, L Xie - PLoS computational biology, 2021 - journals.plos.org
Drug combinations have demonstrated great potential in cancer treatments. They alleviate
drug resistance and improve therapeutic efficacy. The fast-growing number of anti-cancer …

Topological indices and QSPR modeling of some novel drugs used in the cancer treatment

ÖÇ Havare - International Journal of Quantum Chemistry, 2021 - Wiley Online Library
Cancer is a deadly disease. There is no drug yet for the treatment of some types of cancer.
New drug trials are being conducted to treat this disease. One of them is HDAC‐based multi …

Optimization and SAR investigation of novel 2, 3-dihydropyrazino [1, 2-a] indole-1, 4-dione derivatives as EGFR and BRAFV600E dual inhibitors with potent …

HAM Gomaa, ME Shaker, SI Alzarea, OM Hendawy… - Bioorganic …, 2022 - Elsevier
Using a single drug to treat cancer with dual-targeting is an unusual approach when
compared to other drug combinations. Dual-targeting agents were developed as a result of …

Triptolide: Medicinal chemistry, chemical biology and clinical progress

W Hou, B Liu, H Xu - European journal of medicinal chemistry, 2019 - Elsevier
In the past decades, triptolide has attracted considerable interests in the organic and
medicinal chemistry society owing to its intriguing structure features and promising multiple …

Single inhibitors versus dual inhibitors: role of HDAC in cancer

R Roy, T Ria, D RoyMahaPatra, UH Sk - ACS omega, 2023 - ACS Publications
Due to the multimodal character of cancer, inhibition of two targets simultaneously by a
single molecule is a beneficial and effective approach against cancer. Histone deacetylase …

[HTML][HTML] Quinoline–imidazole/benzimidazole derivatives as dual-/multi-targeting hybrids inhibitors with anticancer and antimicrobial activity

D Diaconu, V Antoci, V Mangalagiu… - Scientific Reports, 2022 - nature.com
Two new classes of hybrid quinoline–imidazole/benzimidazole derivatives (the hybrid QIBS
salts and QIBC cycloadducts) were designed and synthesized to evaluate their anticancer …