Search Results - "molecular modeling"

Predictive Machine Learning Models for Olfaction

Dutta, Prantar^Aff4, Jain, Deepak^Aff4, Gupta, Rakesh^Aff4, Rai, Beena^Aff4

Simoes De Souza, Fabio Marques^Aff2, Ma, Ming^Aff3, Walker, John M.^Aff1

Integrated bioinformatics and network pharmacology to identify and validate macrophage polarization related hub genes in the treatment of osteoarthritis with Astragalus membranaceus.

Zang, Hui¹, Wang, Liuyan¹, Wu, Yang^2,3, Chang, Junfei¹, Liu, Wanjun^1,3 72500L10067@shsmu.edu.cn

Focusing on spinal stenosis: emerging discoveries concerning Alendronate-induced risks and genetic drug targets.

Yang, Nan¹, Di, Jingkai², Han, Xiang¹, Zhang, Wei¹, Cui, Xinliang¹, Feng, Haoyu¹ fenghaoyuspine@126.com

Uncovering Novel Anti-Lung Cancer Compounds: Insights from Marine Sponge-Derived Agents: A Bibliometric Review.

Zare, Afshin¹, Afshar, Alireza^1,2, Mussin, Nadiar M.³, Kaliyev, Asset A.³, Aringazina, Raisa A.⁴, Tanideh, Nader^1,5,6, Mahdipour, Mahdi^7,8, Rahmanifar, Farhad⁹, Zhussupova, Zhanna¹⁰, Baizakov, Beibyt Tlektesuly¹¹, Tamadon, Amin^1,5,12 amintamaddon@yahoo.com

Machine learning-assisted analysis of serum metabolomics and network pharmacology reveals the effective compound from herbal formula against alcoholic liver injury.

Ma, Jiamu¹ (AUTHOR), Wei, Peng¹ (AUTHOR), Xu, Xiao² (AUTHOR), Dong, Ruijuan¹ (AUTHOR), Deng, Xixi¹ (AUTHOR), Zhang, Feng¹ (AUTHOR), Sun, Mengyu¹ (AUTHOR), Li, Mingxia¹ (AUTHOR), Liu, Wei¹ (AUTHOR), Yao, Jianling¹ (AUTHOR), Cao, Yu¹ (AUTHOR), Ying, Letian¹ (AUTHOR), Yang, Yuqing¹ (AUTHOR), Yang, Yongqi¹ (AUTHOR), Wu, Xiaopeng² (AUTHOR) dygxzx@126.com, She, Gaimei¹ (AUTHOR) shegaimei@126.com

Pharmacological effects of bile acids on polycystic ovary syndrome via the regulation of chemerin.

Tong, Tian-Tian¹ (AUTHOR), Bai, Long-Bo¹ (AUTHOR), Yau, Lee-Fong¹ (AUTHOR), Li, Jiu-Yan¹ (AUTHOR), Huang, Hao² (AUTHOR), Jiang, Zhi-Hong¹ (AUTHOR) zhjiang@must.edu.mo

Therapeutic Effects of Cynodon dactylon (C. dactylon) against Polycystic Ovary Syndrome Induced by Letrozole in Adult Rats: Ovarian and Uterine Aspects.

Ahmadi, Masoumeh¹, Zare, Afshin², Shirazi, Mohammad Reza Jafarzadeh¹, Askari, Samaneh¹, Khoradmehr, Arezoo³, Mussin, Nadiar M.⁴, Kaliyev, Asset A.⁴, Rezazadeh, Farzad Mohammad¹, Saedi, Saman¹, Taromsari, Mohammad Dadpasand¹, Boostani, Alidad⁵, Tanideh, Nader^2,6,7, Zhilisbayeva, Kulyash R.⁸, Sharofiddin, Ramazon Safarzada⁹, Tamadon, Amin^2,7,10 amintamaddon@yahoo.com

Evaluation of FXR Activity in Pollutants Identified in Sewage Sludge and Subsequent in Vitro and in Vivo Characterization of Metabolic Effects of Triphenyl Phosphate.

Yi Yang¹, Ling Jiao¹, Yixuan Huang¹, Hailin Shang¹, Enrui Li², Hong Chang², Hongyang Cui¹, Yi Wan¹ wany@urban.pku.edu.cn

From Gene to Whole Cell: Modeling, Visualization, and Analysis

Sommer, Bjorn^Aff4, Jaeger-Honz, Sabrina^Aff5

Allmer, Jens^Aff2, Kumar, Abhishek^Aff3, Walker, John M.^Aff1

Integrative network pharmacology, transcriptomics, and proteomics reveal the material basis and mechanism of the Shen Qing Weichang Formula against gastric cancer.

Wang, Yi¹ (AUTHOR) wangyikkkk@163.com, Sun, Xiaoyu¹ (AUTHOR) 276003518@qq.com, Ren, Mingming¹ (AUTHOR), Ma, Fangqi¹ (AUTHOR), Zhao, Ruohan¹ (AUTHOR), Zhu, Xiaohong¹ (AUTHOR), Xu, Yan¹ (AUTHOR), Cao, Nida¹ (AUTHOR), Chen, Yuanyuan² (AUTHOR), Pan, Yongfu² (AUTHOR) yongfupan11@fudan.edu.cn, Zhao, Aiguang¹ (AUTHOR) lh2305@shutcm.edu.cn

Investigation of Potential Targets for Bupleuri Radix in the Treatment of Subacute Thyroiditis.

Lei, Xiaoli¹ (AUTHOR), Lv, Lina² (AUTHOR), Ma, Yongsheng¹ (AUTHOR), Zhang, Chenda¹ (AUTHOR), Li, Li³ (AUTHOR), Huang, Yanqin³ (AUTHOR) dahuang79@126.com, Grzmil, Pawel (AUTHOR)

Targeting Trefoil Factor Family 3 in Obstructive Airway Diseases: A Computational Approach to Novel Therapeutics.

Shahriary, Alireza¹, Sisakht, Mohsen², Arabfard, Masoud¹, Behmard, Esmaeil³, Najafi, Ali⁴ najafi74@bmsu.ac.ir

Xanthohumol as a potential therapeutic strategy for acute myeloid leukemia: Targeting the FLT3/SRPK1 signaling axis.

Duan-Na Zhang¹, Wen-Ya Yang¹, Xiao-Xue Hu¹, Xiao-Min-Ting Song^1,2, Chuan-Jie Guo^1,3, Fu Peng⁴, Yu-Zhi Li¹ liyuzhi@cdutcm.edu.cn, Zhi-Xing Cao¹ caozhixing@cdutcm.edu.cn

Genetic Markers of Spina Bifida: Enrichment of Pathogenic Variants and Variants of Uncertain Significance.

Sharma, Jyoti¹ (AUTHOR), Sharma, Mahima¹ (AUTHOR), Kumar, Sourabh¹ (AUTHOR), Kaushik, Himani² (AUTHOR), Pandey, Himani³ (AUTHOR), Lal, Devi⁴ (AUTHOR), Jain, Vishesh¹ (AUTHOR), Dhua, Anjan Kumar¹ (AUTHOR), Yadav, Devendra Kumar¹ (AUTHOR), Agarwala, Sandeep¹ (AUTHOR), Goel, Prabudh¹ (AUTHOR) drprabudhgoel@gmail.com

Moringa oleifera Docking to Estrogen Receptor a Ameliorates Placental and Brain Damage in Stressed Rats.

Chukwu, Odochi O.^1,2, Iyare, Cordilia¹ cordie2age@gmail.com, Ezimah, Anthony C. U.², Okorocha, Albert E.², Konyefom, Nwaeze G.², Asogwa, Nnaemeka T.³, Igwe, Nancy P.⁴

Using AlphaFold2 and Molecular Dynamics Simulation to Model Protein Recognition

Wong, Hiu Yan^Aff6, Wong, Kam-Bo^Aff6

Jiang, Liwen^Aff2, Shen, Jinbo^Aff3, Gao, Caiji^Aff4, Wang, Xiangfeng^Aff5, Walker, John M.^Aff1

A Network Pharmacological Analysis of Celabenzine Protecting Central Nervous System from Damage Through RhoA Gene Modulation.

Tang, M. S.¹, Zhengjie Wang², Yan Zhao¹, Jie Wang¹, Chengde Pan¹ pcd02148@sina.com

Molecular Subtypes of Vulvar Squamous Cell Carcinoma: The Significance of HPV-Independent/p53 Wild Type.

Horn, Lars-Christian¹ (AUTHOR) hornl@medizin.uni-leipzig.de, Brambs, Christine E.² (AUTHOR) christine.brambs@luks.ch, Gilks, Blake³ (AUTHOR) blake.gilks@vch.ca, Hoang, Lien³ (AUTHOR) lien.hoang@vch.ca, Singh, Naveena³ (AUTHOR) naveena.singh@vch.ca, Hiller, Grit Gesine Ruth¹ (AUTHOR) annekathrin.hoehn@medizin.uni-leipzig.de, Hering, Kathrin⁴ (AUTHOR) kathrin.hering@medizin.uni-leipzig.de, McAlpine, Jessica N.⁵ (AUTHOR) jessica.mcalpine@vch.ca, Jamieson, Amy⁵ (AUTHOR) amy.jamieson@vch.ca, Alfaraidi, Mona^3,6 (AUTHOR) mona.alfaraidi@vch.ca, Aktas, Bahriye⁷ (AUTHOR) bahriye.aktas@medizin.uni-leipzig.de, Dornhöfer, Nadja⁷ (AUTHOR) nadja.dornhoefer@medizin.uni-leipzig.de, Höhn, Anne Kathrin¹ (AUTHOR)

Artificial Intelligence–Driven Computational Approaches in the Development of Anticancer Drugs.

Garg, Pankaj¹ (AUTHOR), Singhal, Gargi² (AUTHOR), Kulkarni, Prakash³ (AUTHOR), Horne, David⁴ (AUTHOR), Salgia, Ravi³ (AUTHOR), Singhal, Sharad S.³ (AUTHOR) ssinghal@coh.org

Organophosphorus Flame Retardants and Metabolic Disruption: An in Silico, in Vitro, and in Vivo Study Focusing on Adiponectin Receptors.

Ying Liu¹, Xiaochun Ma¹, Yifei Le¹, Jiafan Feng¹, Mengting Xu¹, Wanyue Wang¹, Cui Wang¹ wangcui198506@163.com