Results 101 to 110 of about 250,731 (245)

Exploring the potent antimalarial properties of Drimys beccariana Gibbs through molecular docking analysis utilizing advanced structure-based drug design techniques

Journal of Advanced Pharmaceutical Technology & Research
Original Article Exploring the potent antimalarial properties of Drimys beccariana Gibbs through molecular docking analysis utilizing advanced structure-based drug design techniques Hermanto, Faizal; Ratih, Hestiary1; Alatas, Fikri1; Sutarna, Titta ...
Faizal Hermanto, Hestiary Ratih, Fikri Alatas, Titta Hartyana Sutarna   +3 more
doaj   +1 more source

Implicit Ligand Theory: Rigorous Binding Free Energies and Thermodynamic Expectations from Molecular Docking

, 2012
A rigorous formalism for estimating noncovalent binding free energies and thermodynamic expectations from calculations in which receptor configurations are sampled independently from the ligand is derived.
Minh, David D. L.
core   +1 more source

A role for core facilities in improving research rigour

Journal of Microscopy, EarlyView.
Abstract Scientific reproducibility is an ethical and societal responsibility. Discussions of reproducibility and repeatability often focus on the roles of stakeholders in the scientific process, including researchers, publishers, and funders. Core facility staff have distinct functions in research planning, training, interpretation and oversight which
Alison J. North, Kurt I. Anderson
wiley   +1 more source

Understanding and addressing the global impact: A systematic review and cross-sectional bibliometric analysis of Langya henipavirus and pre-existing severe henipaviruses

Journal of Infection and Public Health
In 2022, Langya henipavirus was identified in patients with fever in eastern China. This study provides an overview of the scientific landscape, highlights research focus areas, and outlines potential future investigations.
Jian-Di Li, Yu-Qing Liu, Rong-Quan He, Zhi-Guang Huang, Wan-Ying Huang, Hong Huang, Zhi-Hong Liu, Gang Chen   +7 more
doaj   +1 more source

Integrating molecular docking and molecular dynamics simulations to evaluate active compounds of Hibiscus schizopetalus for obesity

Journal of Applied Pharmaceutical Sciences
The group screened and identified the content of Hibiscus schizopetalus by protein–protein interaction, molecular docking, and dynamics as a potential therapy for obesity through pancreatic lipase (PNLIP) as a protein target.
Purnama Dewi Yuli Astuti, Fadilah Fadilah, Saran Promsai, A. Bahtiar   +3 more
semanticscholar   +1 more source

The BAHD Acyltransferase Gene Family: Evolutionary Dynamics, Biochemical Mechanisms, and Roles in Plant Stress Adaptation

Plant Biotechnology Journal, EarlyView.
BAHD acyltransferases drive metabolic diversification in plants by coupling conserved catalytic scaffolds with regulatory flexibility, enabling stress adaptation and ecological specialisation. ABSTRACT BAHD acyltransferases constitute one of the most versatile enzyme superfamilies in plants, catalysing the acylation of alcohols, amines, polyamines, and
Muhammad Mubashar Zafar, Qiao Fei, Abdul Razzaq, Ayesha Siddiqua, Ayesha Naveed, M. Nasir Khan, Huma Saleem, Xuefei Jiang   +7 more
wiley   +1 more source

Corrigendum to “New Silver N-Heterocyclic Carbenes Complexes: Synthesis, Molecular Docking Study and Biological Activities Evaluation as cholinesterase inhibitors and antimicrobials” [Journal of Molecular Structure 1238 (2021) 130399]

Journal of Molecular Structure, 2021
Sarra Lasmari, Sofiane Ikhlef, Raouf Boulcina, El Hassen Mokrani, Chawki Bensouici, Nevin Gürbüz, Muhmammed Dündar, Hüseyin Karcı, İlknur Özdemir, Ahmet Koç, Ismail Özdemir, Abdelmadjid Debache   +11 more
openaire   +1 more source

Fenofibrate potentiates the therapeutic efficacy of EZH2 inhibitors on melanoma via TRIM21‐ and OTUD4‐mediated EZH2 ubiquitination

British Journal of Pharmacology, Volume 183, Issue 11, Page 2675-2694, June 2026.
Background and Purpose EZH2 (enhancer of zeste homologue 2) inhibitors are an emerging class of drugs that target epigenetic regulation. However, their efficacy in solid tumours has been limited, partly due to drug‐induced upregulation of fatty acid synthesis.
Rui Cheng, Yuanjun Tang, Xuedi Cao, Xiaotong Yu, Zhanya Huang, Yunyun Guo, Renjing Jin, Yan Wang, Yang Liu, Lixiang Xue, Yuqing Wang   +10 more
wiley   +1 more source

Balanites aegyptiaca (L.) Delile: a review of its traditional uses, phytochemistry and biological activities

Phytomedicine Plus
Background: Balanites aegyptiaca, a member of the Zygophyllaceae family, has been utilized in traditional Ayurvedic medicine for over 4000 years. Various parts of B. aegyptiaca have been employed to treat a wide range of ailments, including leprosy, worm
A.S. Shinde, V.V. Ingole, S.P. Rasale, S.R. Katade   +3 more
doaj   +1 more source

In silico exploration of Lycoris alkaloids as potential inhibitors of SARS-CoV-2 main protease (Mpro)

European Journal of Biological Research, 2022
Coronavirus disease 2019 (COVID-19) is a pandemic whose adverse effects have been felt all over the world. As of August 2022, reports indicated that over 500 million people in the world had been infected and the number of rising deaths from the disease ...
Fredrick Mutie Musila, Grace W Gitau, Magrate M. Kaigongi, Dickson B. Kinyanyi, Jeremiah M. Mulu, Joseph M. Nguta   +5 more
doaj