Results 211 to 220 of about 41,275 (293)

Design, Synthesis, Molecular Dynamics, and In Vitro Evaluation of Isatin‐Based Quinazoline Derivatives as Potential Antidiabetic Agents

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
A series of substituted indolo[2,1‐b]quinazoline‐6,12‐diones (SJ1‐SJ8) has been studied for their possible α‐amylase inhibition property as an antidiabetic lead compound. The most potent inhibitory activity among the tested derivatives was showed by SJ2 (IC50 = 18.49 ± 0.06 µM), similar to the reference drug acarbose (IC50 = 16.26 ± 0.02 µM).
Sahil Jaidka, Ankush Kumar, Christopher Basumatary, Thakur Gurjeet Singh, Rohit Bhatia   +4 more
wiley   +1 more source

In Silico Studies of Potent Tyrosine Kinase Inhibitors: Molecular Docking and Pharmacophore Modeling Approaches. [PDF]

Molecules
Mavridis E, Pontiki E, Hadjipavlou-Litina D.   +2 more
europepmc   +1 more source

A Thiosemicarbazone Schiff Base and Its Titanium(IV) Complexes: Spectral Analysis, DFT Studies, and Biological Evaluation

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
DFT computations are used to analyze the electronic structure, stability, and reactivity profiles of a new Schiff base ligand and its Ti(IV) complexes and are characterized by elemental analysis, IR, 1H NMR, 13C NMR, and mass spectrometry and screened for antimicrobial activities against E. coli, S. aureus, ESBL, MRSA, Mtb, A.
Priyanka Ghanghas, Anshul Yadav, Astha Kamboj, Anita Choudhary, Manjinder Kour, Dinesh Kumar, Kavita Poonia   +6 more
wiley   +1 more source

A hybrid high activity aware framework integrating graph attention network and transformer for half maximal inhibitory concentration prediction. [PDF]

Front Immunol
Ban D, Pan L, Zhang X, Xu P, Wang B, Liu T, Pan D, Li X.   +7 more
europepmc   +1 more source

Exploring the Anticancer Potential of Novel Piperidine‐Embedded Isoxazol–Triazole Conjugates Against MCF‐7 Human Breast Adenocarcinoma Cell Line: Design, Synthesis, In Silico, and In Vitro Investigations

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
Novel piperidine–embedded isoxazol–triazole conjugates (6a‐6o) were designed, synthesized, and evaluated for anticancer activity against MCF‐7 breast cancer cells, with selectivity assessed using noncancerous HEK293 cells. Compound 6m showed the most potent antiproliferative activity (GI50 < 10 µg/mL; SI > 5), comparable to doxorubicin, highlighting ...
Jay R. Ghonia, Jigisha Parikh, Bharatkumar Z. Dholakiya   +2 more
wiley   +1 more source

Structure-based identification of small-molecule stabilizers targeting mutant TP53 (Y220C) in breast cancer: a pharmacophore modeling, molecular docking and dynamics study. [PDF]

J Genet Eng Biotechnol
Paulino PJIV, Omar MTC.
europepmc   +1 more source

Synthesis, Characterization, and Biological Assessment of 2‐Methoxynicotinonitrile Derivatives

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
We report the synthesis of new 2‐methoxy‐3‐cyanopyridine derivatives via the nucleophilic aromatic substitution pathway, along with their crystal structure determination and preliminary biological evaluation. The new synthetic conversion described here demonstrates a practical method of preparing structurally diverse 2‐methoxy‐3‐cyanopyridines and ...
Eman Sulaiman, Eman Al‐Masri, Maram B. Alhawarri, Mohammad M. Ibrahim, Mahmoud Al‐Refai, Basem F. Ali, Ali Shuaib   +6 more
wiley   +1 more source

In silico repurposing of clinically approved drugs as potential BRAF inhibitors: a pharmacophore-based virtual screening and experimental investigation. [PDF]

Cancer Cell Int
Amini H, Ebrahimi N, Mousavirahimi S, Zamani M, Bagherzadeh K, Montazeri H, Azizian H.   +6 more
europepmc   +1 more source

Design, Synthesis, and Antifungal Activity of Natural Furan Carboxylic Acid Derivatives as Potential Succinate Dehydrogenase Inhibitors

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
A series of furanamide derivatives were designed and synthesized. Among these compounds, those containing the trifluoromethyl (─CF3) group exhibited the most potent antifungal activity. Notably, compounds 3m and 6b showed particularly strong effects, and their mechanism of action was further investigated.
Hongxin Luo, Yusen Wang, Yanchang Shi, Chengna Dong, Yadong Song, Qilin Zhang, Zhiqiang Hu, Yukun Qin   +7 more
wiley   +1 more source

<i>In silico</i> design and binding mechanism of UBR1 E3 ligase recruiters. [PDF]

RSC Adv
Maria-Solano MA, Lazim R, Choi S.
europepmc   +1 more source