Recent drug design strategies and identification of key heterocyclic scaffolds for promising anticancer targets

A Mushtaq, P Wu, MM Naseer - Pharmacology & Therapeutics, 2024 - Elsevier
Cancer, a noncommunicable disease, is the leading cause of mortality worldwide and is
anticipated to rise by 75% in the next two decades, reaching approximately 25 million cases …

Exploration of nonlinear optical properties of 4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylpropanamide based derivatives: experimental and DFT approach

M Irfan, HA Khan, S Bibi, G Wu, A Ali, SG Khan… - Scientific Reports, 2024 - nature.com
Triazoles, nitrogen-containing heterocycles, have gained attention for their applications in
medicinal chemistry, drug discovery, agrochemicals, and material sciences. In the current …

Molecular hybrids of substituted phenylcarbamoylpiperidine and 1, 2, 4-triazole methylacetamide as potent 15-LOX inhibitors: Design, synthesis, DFT calculations and …

Z Nawaz, N Riaz, M Saleem, A Iqbal, SA Ejaz… - Bioorganic …, 2024 - Elsevier
Inflammation is a multifaceted phenomenon triggered by potentially active mediators acutely
released arachidonic acid metabolites partially in lipoxygenase (LOX) pathway which are …

Synthesis, structure, spectra, NLO behavior, and in-silico study on anti-tumor and anti-tuberculosis efficacy of (Z)-3-((Z)-3-phenylallylidene) benzo [4, 5] imidazo [1, 2-c] …

R Rahmani, A Djafri, H Khaldi, Y Megrouss… - Journal of Molecular …, 2025 - Elsevier
In this study, we report the synthesis of (Z)-3-((Z)-3-phenylallylidene) benzo [4, 5] imidazo [1,
2-c] thiazole-1 (3H)-thione (ThBMT). This compound belongs to an important group of …

Significance of triazole in medicinal chemistry: advancement in drug design, reward and biological activity

M Ajmal, AK Mahato, M Khan, S Rawat… - Chemistry & …, 2024 - Wiley Online Library
One of the triazole tautomers, 1, 2, 4‐triazole derivatives, has a wide range of biological
activities that suggest its potential therapeutic utility in medicinal chemistry. These actions …

[HTML][HTML] Synthesis, characterization and molecular docking studies of bioactive 1, 3-Thiazoles as promising antibacterial and antioxidant agents

A Ghafoor, HR Hassan, M Ismail, WMA Malik, S Afaq… - Results in …, 2024 - Elsevier
In this work, we report synthesis of thiosemicarbazones 1b-10b and their cyclic derivatives 1,
3-Thiazoles 1c-10c. The prepared compounds were checked by FT-IR analysis, their …

Novel 1, 2, 4-triazole-maleamic acid derivatives: synthesis and evaluation as anticancer agents with carbonic anhydrase inhibitory activity

M Tapera, H Kekeçmuhammed, B Tüzün… - Journal of Molecular …, 2024 - Elsevier
Abstract Hybrid compounds with 1, 2, 4-triazole ring and a hydrazone moiety were designed
and synthesized by amine acylation of uncommon triaminogunidine derivatives using maleic …

Design, DFT, experimental, and NLO studies of a new hybrid containing 1, 3, 4-oxadiazole and indole moieties

SM Hassan, AM Jassem, QMA Hassan… - Physica …, 2024 - iopscience.iop.org
Design, DFT, experimental, and NLO studies of a new hybrid containing 1,3,4-oxadiazole and
indole moieties - IOPscience Skip to content IOP Science home Accessibility Help Search all …

[HTML][HTML] Dataset on substituents effect on biological activities of linear RGD-containing peptides as potential anti-angiotensin converting enzyme

AK Oyebamiji, SA Akintelu, ET Akintayo, CO Akintayo… - Data in Brief, 2023 - Elsevier
The angiotensin converting enzyme inhibiting activity of linear rgd-containing peptides was
investigated using in silico approach. The synthesized compound (parent compound) using …

Development of Cancer Drug Targets and Potential Anti-Cancer Agents using Deep Learning and Screening Processes

KS Balamurugan, T Ramesh, SK PJ… - … Conference on Data …, 2024 - ieeexplore.ieee.org
Cancer is one of the global health issues with various complications that lead to fatal. A
novel approach is initiated using deep learning techniques. They help in the analysis of …