Zoekresultaten - "molecular dynamics"

LC-MS/MS profiling of Tipuana tipu flower, HPLC-DAD quantification of its bioactive components, and interrelationships with antioxidant, and anti-inflammatory activity: in vitro an... door Rana M. Ibrahim, Passent M. Abdel-Baki, Ahmed A. El-Rashedy, Nariman E. Mahdy

Connect to this object online.

Potential mechanism prediction of indole-3-propionic acid against diminished ovarian reserve via network pharmacology, molecular docking and experimental verification door Ahui Liu, Zhijun Liu, Haofei Shen, Wenjing Du, Yanbiao Jiang, Liyan Wang, Rui Zhang, Panpan Jin, Xuehong Zhang

Connect to this object online.

Identification of natural peptides from "PlantPepDB" database as anti-SARS-CoV-2 agents: A protein-protein docking approach door Priyanka Bhandu, Himanshu Verma, Baddipadige Raju, Gera Narendra, Shalki Choudhary, Manmeet Singh, Pankaj Kumar Singh, Om Silakari

Connect to this object online.

Tyrosine 7.43 is important for mu-opioid receptor downstream signaling pathways activated by fentanyl door Xiangyun Tian, Junjie Zhang, Shaowen Wang, Shaowen Wang, Huan Gao, Huan Gao, Yi Sun, Xiaoqian Liu, Wei Fu, Bo Tan, Ruibin Su

Connect to this object online.

CRMP-2 peptide mediated decrease of high and low voltage-activated calcium channels, attenuation of nociceptor excitability, and anti-nociception in a model of AIDS therapy-induced... door Piekarz Andrew D, Due Michael R, Khanna May, Wang Bo, Ripsch Matthew S, Wang Ruizhong, Meroueh Samy O, Vasko Michael R, White Fletcher A, Khanna Rajesh

Connect to this object online.

Allosteric cross-talk between the hydrophobic cleft and the BH4 domain of Bcl-2 in control of inositol 1,4,5-trisphosphate receptor activity door George Shapovalov, Abigaël Ritaine, Nadege Charlene Essonghe, Ian de Ridder, Hristina Ivanova, Spyridoula Karamanou, Anastassios Economou, Geert Bultynck, Roman Skryma, Natalia Prevarskaya

Connect to this object online.

Anti-colorectal cancer of Ardisia gigantifolia Stapf. and targets prediction via network pharmacology and molecular docking study door Weibo Dai, Jing Yang, Xin Liu, Quanxi Mei, Weijie Peng, Xianjing Hu

Connect to this object online.

Computational insights into the inhibitory mechanism of type 2 diabetes mellitus by bioactive components of Oryza sativa L. indica (black rice) door Kashaf Rasool, Attya Bhatti, Abid Majeed Satti, Rehan Zafar Paracha, Peter John

Connect to this object online.

Simulation studies, 3D QSAR and molecular docking on a point mutation of protein kinase B with flavonoids targeting ovarian Cancer door Suchitra Maheswari Ajjarapu, Apoorv Tiwari, Gohar Taj, Dev Bukhsh Singh, Sakshi Singh, Sundip Kumar

Connect to this object online.

Impact of camel milk lactoferrin peptides against breast cancer cells: in silico and in vitro study door Othman Baothman, Othman Baothman, Ehab M. M. Ali, Ehab M. M. Ali, Hassan Alguridi, Salman Hosawi, Salman Hosawi, Emadeldin Hassan E. Konozy, Emadeldin Hassan E. Konozy, Isam M. Abu Zeid, Abrar Ahmad, Hisham N. Altayb, Hisham N. Altayb

Connect to this object online.

Thermodynamically consistent space-time discretization of non-isothermal mechanical systems in the framework of GENERIC door Georg Schiebl, Mark

OAPEN Library: download the publication
OAPEN Library: description of the publication

Systems and in vitro pharmacology profiling of diosgenin against breast cancer door Pukar Khanal, Vishal S. Patil, Vishwambhar V. Bhandare, Priyanka P. Patil, B. M. Patil, Prarambh S. R. Dwivedi, Kunal Bhattacharya, Kunal Bhattacharya, Darasaguppe R. Harish, Subarna Roy

Connect to this object online.

In-silico and in-vitro assessments of some fabaceae, rhamnaceae, apocynaceae, and anacardiaceae species against Mycobacterium tuberculosis H37Rv and triple-negative breast cancer c... door Kudakwashe Nyambo, Francis Adu-Amankwaah, Kudzanai Ian Tapfuma, Lucinda Baatjies, Lauren Julius, Liezel Smith, Mkhuseli Ngxande, Krishna Govender, Lawrence Mabasa, Afsatou Traore, Maano Valerie Masiphephethu, Idah Sithole Niang, Vuyo Mavumengwana

Connect to this object online.

Quercetin is a Potential Therapy for Rheumatoid Arthritis via Targeting Caspase-8 Through Ferroptosis and Pyroptosis door Zheng Q, Wang D, Lin R, Chen Y, Xu Z, Xu W

Connect to this object online.

Network Pharmacology Analysis and Machine-Learning Models Confirmed the Ability of YiShen HuoXue Decoction to Alleviate Renal Fibrosis by Inhibiting Pyroptosis door Feng M, Luo F, Wu H, Chen Y, Zuo J, Weng X, Chen G, Zhong J

Connect to this object online.

In Vitro and In Silico Approaches for the Evaluation of Antimicrobial Activity, Time-Kill Kinetics, and Anti-Biofilm Potential of Thymoquinone (2-Methyl-5-propan-2-ylcyclohexa-2,5-... door Kamal A. Qureshi, Mahrukh Imtiaz, Adil Parvez, Pankaj K. Rai, Mariusz Jaremko, Abdul-Hamid Emwas, Avinash D. Bholay, Muhammad Qaiser Fatmi

Connect to this object online.

A Lead-Based Fragment Library Screening of the Glycosyltransferase WaaG from <i>Escherichia coli</i> door Federico Riu, Alessandro Ruda, Olof Engström, Claudio Muheim, Hani Mobarak, Jonas Ståhle, Paul Kosma, Antonio Carta, Daniel O. Daley, Göran Widmalm

Connect to this object online.

An Integrative Approach to Study the Inhibition of Providencia vermicola FabD Using C2-Quaternary Indolinones door Khataniar A, Das A, Baruah MJ, Bania KK, Rajkhowa S, Al-Hussain SA, Zaki ME

Connect to this object online.

A novel hotspot and rare somatic mutation p.A138V, at TP53 is associated with poor survival of pancreatic ductal and periampullary adenocarcinoma patients door Gourab Saha, Richa Singh, Argha Mandal, Subrata Das, Esita Chattopadhyay, Prasun Panja, Paromita Roy, Navonil DeSarkar, Sumit Gulati, Supriyo Ghatak, Shibajyoti Ghosh, Sudeep Banerjee, Bidyut Roy, Saurabh Ghosh, Dipankar Chaudhuri, Neeraj Arora, Nidhan K. Biswas, Nilabja Sikdar

Connect to this object online.

Simulation Modelling Practice and Theory

DOAB: download the publication
DOAB: description of the publication