[HTML][HTML] More than resveratrol: New insights into stilbene-based compounds

P Pecyna, J Wargula, M Murias, M Kucinska - Biomolecules, 2020 - mdpi.com
The concept of a scaffold concerns many aspects at different steps on the drug development
path. In medicinal chemistry, the choice of relevant “drug-likeness” scaffold is a starting point …

Recent advancements of hydrogels in immunotherapy: Breast cancer treatment

J Mondal, K Chakraborty, EJ Bunggulawa… - Journal of Controlled …, 2024 - Elsevier
Breast cancer is the most prevalent cancer among women and the leading cause of cancer-
related deaths in this population. Recent advances in Immunotherapy, or combined …

[HTML][HTML] Development of new bioactive molecules to treat breast and lung cancer with natural myricetin and its derivatives: A computational and SAR approach

S Akash, A Kumer, MM Rahman, TB Emran… - Frontiers in Cellular …, 2022 - frontiersin.org
Each biopharmaceutical research and new drug development investigation is targeted at
discovering novel and potent medications for managing specific ailments. Thus, to discover …

A molecular dynamics perspective into estrogen receptor inhibition by selective flavonoids as alternative therapeutic options

A Sinyani, K Idowu, L Shunmugam… - Journal of …, 2023 - Taylor & Francis
Zearalenone is an estrogenic mycotoxin which is a common food contaminant and has been
implicated in increasing the incidence of carcinogenesis and other reproductive health …

Synthesis, antiproliferative, antioxidant activities, in silico studies, DFT analysis and molecular dynamics simulation of novel 1-(4-chlorobenzhydryl) piperazine …

NA Al-Masoudi, RS Jihad, NA Abdul-Rida… - Journal of Molecular …, 2024 - Elsevier
Abstract A series of 1-(4-chlorobenzhydryl) piperazine derivatives 3–10 were synthesized
and characterized both spectroscopically and structurally to investigate their antiproliferative …

Thiadiazine-thiones as inhibitors of leishmania pteridine reductase (PTR1) target: Investigations and in silico approach

A Shtaiwi - Journal of Biomolecular Structure and Dynamics, 2023 - Taylor & Francis
Leishmaniasis is a widespread parasitic disease and is one of the major public health
concerns in developing countries. Many drugs have been identified for leishmania as …

[HTML][HTML] Novel hybrid motifs of 4-nitroimidazole-piperazinyl tagged 1, 2, 3-triazoles: Synthesis, crystal structure, anticancer evaluations, and molecular docking study

SOW Saber, RA Al-Qawasmeh, L Abu-Qatouseh… - Heliyon, 2023 - cell.com
Abstract 4-((4-(1-benzyl-2-methyl-4-nitro-1H-imidazole-5-yl) piperazine-1-yl) methyl)-1-
substituted-1H-1, 2, 3-triazole motifs are designed and synthesized via click chemistry. The …

Computational investigation of the alkaloids of Pilocarpus microphyllus species as phytopharmaceuticals for the inhibition of sterol 14α-demethylase protease of …

ÉRA de Sá, JL Souza, RKM Costa… - Journal of …, 2023 - Taylor & Francis
Trypanosoma cruzi is a protozoan transmitted by the insect Triatoma infestans, popularly
known as kissing bug. This protozoan causes the Chagas disease, a Neglected Tropical …

[HTML][HTML] In silico design of novel bioactive molecules to treat breast cancer with chlorogenic acid derivatives: a computational and SAR approach

R Sehrawat, P Rathee, P Rathee, S Khatkar… - Frontiers in …, 2023 - frontiersin.org
Introduction: Cancer is a vast group of diseases comprising abnormal cells that multiply and
grow uncontrollably, and it is one of the top causes of death globally. Several types of …

Study of potential inhibition of the estrogen receptor α by cannabinoids using an in silico approach: Agonist vs antagonist mechanism

C Rocha-Roa, E Cortes, SA Cuesta, JR Mora… - Computers in Biology …, 2023 - Elsevier
Breast cancer is the main cancer type with more than 2.2 million cases in 2020, and is the
principal cause of death in women; with 685000 deaths in 2020 worldwide. The estrogen …