Results 191 to 200 of about 2,447,781 (239)

GC–MS‐Based Phytochemical Profiling and Integrated Evaluation of Antioxidant, Antibacterial, and In Silico Studies of Kumaun Himalayan Strobilanthes Species

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
Himalayan Strobilanthes species: phytochemical profiling, bioactivities, and In silico Studies. ABSTRACT Five Strobilanthes species indigenous to the Kumaun Himalayan region of Uttarakhand, India, have been historically employed in traditional medicine to treat bacterial infections, inflammatory conditions, and respiratory ailments, but remain largely ...
Sakshi Negi, Ravendra Kumar, Vaishnavi Rawat, Pooja Bargali, Aashish Kumar Sagar, Stefania Garzoli, Riddhiman Lahiri, Shilpi Rawat, Avdhesh Kumar, Manmohan Singh Rawat, Jolanta Maslowiecka, Valery A. Isidorov, Dharmendra S. Rawat   +12 more
wiley   +1 more source

PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening. [PDF]

Chem Sci
Seo S, Kim WY.
europepmc   +1 more source

Synthesis and Antifungal Activities of Perillyl Alcohol Based 1,3,4‐Thiadiazole‐Thioether Compounds

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
A series of perillyl alcohol‐derived 1,3,4‐thiadiazole‐thioether compounds were designed, synthesized, and evaluated for their antifungal activities. Compound V15 was identified as the most potent derivative, demonstrating superior efficacy against G.
Yanlin Xiong, Yun Zhang, Yucheng Cui, Meijuan Hu, Meifang Zhuo, Wengui Duan, Qijin Mo   +6 more
wiley   +1 more source

Pharmacophore Modeling and Binding Affinity of Secondary Metabolites from Angelica keiskei to HMG Co-A Reductase. [PDF]

Molecules
Aulifa DL, Amirah SR, Rahayu D, Megantara S, Muchtaridi M.   +4 more
europepmc   +1 more source

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

Identification of Malaria-Selective Proteasome β5 Inhibitors Through Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation. [PDF]

Int J Mol Sci
Yasir M, Park J, Han ET, Han JH, Park WS, Chun W.   +5 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

Discovery of Novel Multiangiogenic Agents Targeting VEGFR2, EphB4, FGFR-1, and TIE-2: Receptor-Based Pharmacophore Modeling, Virtual Screening, and Molecular Modeling Studies. [PDF]

ACS Omega
Patra J, Keshari AK, Bhandare RR, Shaik AB, Parrot M, Lin S.   +5 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

Dual Inhibitors of c-MET and EGFR in Triple Negative Breast Cancer: Pharmacophore Modeling and Molecular Dynamics Based in Silico Drug Repositioning. [PDF]

Iran J Pharm Res
Abkhiz S, Tarighi P, Azizian H.
europepmc   +1 more source