Results 121 to 130 of about 96,143 (246)

GC–MS Profile, Antimicrobial Activity, and In Silico ADMET Evaluation of Major Constituents from Pogostemon cablin (Patchouli) and Juniperus communis (Juniper)

Current Research in Health Sciences
Objective: This study aimed to investigate the antimicrobial potential of essential oils obtained from Pogostemon cablin (patchouli) and Juniperus communis (juniper), to identify their major phytoconstituents through GC–MS analysis, and to evaluate the ...
Leyla Güven, Hayrunisa Hancı
doaj   +1 more source

Multifaceted Evaluation of Syngonium podophyllum Flower Extracts: Anthelmintic, Antidiabetic, Antipyretic, and Antidiarrheal Potentials via Experimental, In Silico, and DFT Approaches

Food Science &Nutrition, Volume 14, Issue 4, April 2026.
The methanolic extract of Syngonium podophyllum flower demonstrated significant anthelmintic, antidiabetic, antidiarrheal, and antipyretic effects across all in vitro and in vivo experimental models. Furthermore, in silico studies revealed that these phytoconstituents exhibit favorable pharmacokinetic properties, interact with key therapeutic target ...
Mahathir Mohammad, Nusrat Jahan Moon, Md. Hossain Rasel, Md. Anisul Islam, Nazmul Hasan Eshaque, Md. Jahirul Islam Mamun, Md. Zamil Hossain, Md. Mahmudul Hasan, Md. Tanvir Chowdhury, S. M. Moazzem Hossen   +9 more
wiley   +1 more source

Advancing ADMET prediction through multiscale fragment-aware pretraining with MSformer-ADMET

Briefings in Bioinformatics
Abstract Absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties are critical determinants of the pharmacokinetic and safety profiles of drug candidates. Accurate and early-stage prediction of ADMET characteristics is essential for reducing late-stage attrition rates, lowering development costs, and accelerating ...
Huihui Liu, Bingjie Zhu, Shuyang Nie, Haoran Li, Yugang Lin, Tianyi Ma, Xin Shao, Qian Chen, Minjie Shen, Yanrong Zheng, Xiaohui Fan, Jie Liao   +11 more
openaire   +2 more sources

Wound‐Healing Efficacy of Garcinia pedunculata Fruit Extract: In Vivo and In Silico Validation of Regenerative Mechanisms With Histological Analysis

Food Science &Nutrition, Volume 14, Issue 4, April 2026.
This study demonstrates that G. pedunculata fruit possesses potent wound‐healing activity, evidenced by accelerated wound contraction, reduced epithelialization time, enhanced fibroblast proliferation, increased collagen deposition, and improved neovascularization in both excision and burn models. ABSTRACT Garcinia pedunculata Roxb., traditionally used
Kazi Sanjida Tahrim, Md. Mushfiqur Rahman, Md. Sohanur Rahman, Mohammad Abu Sayem, Md. Safayat Hossen Momen, Tanvir Hasan, Md. Jahirul Islam Mamun, Md. Mahmudul Hasan   +7 more
wiley   +1 more source

Withania somnifera Root Extract Ameliorates PTU‐Induced Hypothyroidism by Regulating Hormone Levels and Gene Expression in Rats

Food Science &Nutrition, Volume 14, Issue 4, April 2026.
Graphical abstract for the integrated in silico and in vivo approach demonstrating the Methanolic extract of Withania somnifera root ameliorated PTU‐induced hypothyroidism through the regulation of thyroid hormone levels, gene expression, and thyroid histopathology.
Md. Saud Hossain, Md. Shah Poran Shuvo, M. Maruf Hasan Talukder, Shahidullah, Sumaia Jannat, S. M. Riaduzzaman Niaz, Md Sohel, Md. Khairul Islam   +7 more
wiley   +1 more source

Modifying Antibiotic Activity of Synthetic Thiadiazine Analogs Against MDR Bacteria and ADMET Analysis

ChemistryOpen, Volume 15, Issue 4, April 2026.
The study demonstrated that thidiazine compounds potentiated the action of antibiotics. The compounds associated with norfloxacin against S. aureus showed greater significance in relation to the other medications. The indiscriminate use of antibiotics has led to the selection of resistant bacterial strains, significantly reducing the effectiveness of ...
João Arthur de Oliveira Borges, Priscilla Ramos Freitas, Isaac Moura Araújo, Ray Silva de Almeida, Igor José dos Santos Nascimento, João Xavier de Araújo‐Júnior, Edeildo Ferreira da Silva‐Júnior, Thiago Mendonça de Aquino, Francisco Jaime Bezerra Mendonça Junior, Emmanuel Silva Marinho, Hélcio Silva dos Santos, Radosław Kowalski, Grażyna Kowalska, Henrique Douglas Melo Coutinho, Saulo Relison Tintino, Ana Carolina Justino de Araújo   +15 more
wiley   +1 more source

Design, Synthesis, Cytotoxicity Assessment, and Molecular Docking of Novel Triazolopyrimidines as Potent Cyclin‐Dependent Kinase 4 Inhibitors

ChemistryOpen, Volume 15, Issue 4, April 2026.
A novel series of 1,5‐dihydro‐[1,2,4]triazolo[4,3‐a]pyrimidines (5a–g) is synthesized and evaluated as potential CDK4 inhibitors. Compounds 5c and 5d exhibit strong cytotoxicity toward HepG2 and MCF‐7 cells with IC50 ≈ 1–2 µM, comparable to doxorubicin.
Tariq Z. Abolibda, Sami A. Al‐Hussain, Basant Farag, Mohamed El‐Naggar, Magdi E. A. Zaki, Emad S. A. Alhazmi, Adel S. M. Almohammadi, Sobhi M. Gomha   +7 more
wiley   +1 more source

Abietic Acid Enhances the Sedative Activity of Diazepam: In vivo Approach along with Receptor Binding Affinity and Molecular Interaction with the GABAergic System

ChemistryOpen, Volume 15, Issue 4, April 2026.
Abietic acid (AA) reveals potent sedative potential by expressing fast sleeping onset and increased sleeping duration compare to the control group in thiopental sodium induced sleeping mice. The compound also exhibited notable binding affinity (–7.9 kcal/mol) toward GABAA receptors.
Meher Afroz, Rubel Hasan, Mst Muslima Khatun, Mokammel Hossain Tito, Md Shadin, Ranjit Chakma, Mohammed Asiri, Faisal H. Altemani, Abdullah H. Altemani, Md Shimul Bhuia, Muhammad Torequl Islam   +10 more
wiley   +1 more source

Production of a New Drug: A Sequential Investment ProcessUnder Uncertainty [PDF]

On the basis of a database of more than 80 thousand records on total retails and production costs of the pharmaceutical industry worldwide we consider four classes of drugs.
Carlo Zappia, Marcello Basili, Roberto Renò   +2 more
core  

Computational Study on Potentially Active Antibacterial Compounds in Secondary Metabolites of Extremophilic Microorganisms

ChemistryOpen, Volume 15, Issue 4, April 2026.
This study employed density functional theory (DFT) and conceptual DFT (CDFT) to calculate the structures and properties of potential antibacterial compounds derived from 16‐membered lactone ring‐containing secondary metabolites of extremophiles, as well as midecamycin.
Dilong Li, Yanni Wang, Yinhuan Huang, Hui Zhou, Xiaoyun Xia, Wei Huang, Chaojie Wang   +6 more
wiley   +1 more source