DOCKING

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Automatic Control of Magnetic Helical Microrobots Docking with Target Objects in Liquid Environments
《Journal of Bionic Engineering》2025年第2期574-584,共11页Fu Zhao Haoran Rong Lefeng Wang 
supported by the National Natural Science Foundation of China(No.62273117);Pre-research Task(No.SKLRS202418B)of State Key Laboratory of Robotics and Systems(HIT).
Bio-inspired magnetic helical microrobots have great potential for biomedical and micromanipulation applications. Precise interaction with objects in liquid environments is an important prerequisite and challenge for ...
关键词：Magnetic actuation Helical microrobots Visual servo Motion control DOCKING 
Chemical Composition, Antioxidant and Anticancer Activities of Thymus capitatus Essential Oil:Experimental and Computational Approaches
《Phyton-International Journal of Experimental Botany》2025年第3期723-737,共15页Hamada Imtara Feras Abujaber Faady Siouri Aziz Tumeh Bashar Saad 
Traditional Palestinian medicine uses Thymus capitatus (T. capitatus), a plant recognized for its therapeutic properties due to its high concentration of essential oils such as thymol and carvacrol, to treat skin dise...
关键词：Thymus capitatus gas chromatography-mass spectrometry(GC-MS) DOCKING CYTOSTATIC CYTOTOXIC 
In-silico study of E169G and F242K double mutations in leucine-rich repeats(LRR)polygalacturonase inhibiting protein(PGIP)of Gossypium barbadense and associated defense mechanism against plant pathogens
《Journal of Cotton Research》2025年第1期21-39,共19页MURMU Sneha RASHMI Mayank NAGRALE Dipak T. KOUR Tejasman SINGH Mahender Kumar CHAURASIA Anurag BEHERA Santosh Kumar SHANKAR Raja RANJAN Rajiv JHA Girish Kumar GAWANDE Shailesh P. HIREMANI Neelakanth S. PRASAD Y.G. KUMAR Sunil 
CABin grant(F.no.Agril.Edn.4-1/2013-A&P);Indian Council of Agricul-tural Research,Ministry of Agriculture and Farmers’Welfare,Govt.of India and Department of Biotechnology,Govt.of India for BIC project grant(BT/PR40161/BTIS/137/32/2021)。
Background Polygalacturonase inhibiting proteins(PGIPs)play a pivotal role in plant defense against plant patho-gens by inhibiting polygalacturonase(PG),an enzyme produced by pathogens to degrade plant cell wall pecti...
关键词：Polygalacturonase inhibiting proteins POLYGALACTURONASE Plant-pathogen interaction Protein-protein interaction DOCKING Molecular dynamics simulation 
Computational interrogation of natural compounds identified resveratrol-3-O-D-glucopyranoside as a potential inhibitor of essential monkeypox virus proteins
《Intelligent Medicine》2025年第1期5-13,共9页Oluwafemi A.Adepoju Ammar Usman Danazumi Lamin BS Dibba Bashiru Ibrahim Salahuddin Iliyasu Gital Joseph Gideon Ibrahim Maliyogbinda L.Jibrailu Emmanuel O.Balogun 
supported by the Fogarty International Center of the National Institutes of Health(Grant No.K43TW012015).
Background Monkeypox has become a significant public health concern owing to the recent epidemics and associated morbidity.The treatment is limited by the availability of drugs,especially in endemic communities.Comput...
关键词：Monkeypox virus Drug discovery Computational methods DOCKING Molecular dynamics simulation SuperNatural compounds 
Docking of Human Band 3 Anion Transporter Proteins with Their Plasmodium falciparum Interactors Based on Short Linear Motifs
《American Journal of Molecular Biology》2024年第4期187-200,共14页Fatoumata Gniné Fofana Ayoub Ksouri Cheickna Cisse Oussema Souiai Alia Benkahla Hedmon Okella Mamadou Sangare Jeffrey G. Shaffer Seydou Doumbia Mamadou Wele 
Plasmodium (P.) falciparum is a pathogen that causes severe forms of malaria. Protein interactions have been shown to occur between P. falciparum and human erythrocytes in human blood. The Band 3 Anion Transporter (B3...
关键词：MALARIA Protein-Protein Docking Protein-Protein Interaction Short Linear Motifs 
Network pharmacology-based approach to understand the effect and mechanism of Tangzhiqing against atherosclerosis
《Natural Therapy Advances》2024年第4期13-20,共8页Sen-Qi Yang Wan-Ying Feng Zhi-Hui Song Xin-Ya Ding Rui Chen Yi Wang 
supported by the Tianjin Education Commission Research Program Project(Grant number:2023KJ123).
Background:Tangzhiqing formula(TZQ)has powerful pharmacological effects on diabetes and hyperlipidemia.However,according to current studies,the action and molecular mechanisms of TZQ for the treatment of atheroscleros...
关键词：Tangzhiqing(TZQ) ATHEROSCLEROSIS systems pharmacology DOCKING 
Cardioprotective effect of bioassay-guided fractions of Cleome viscosa methanolic extract in streptozotocin-induced diabetic rats
《Asian Pacific Journal of Tropical Biomedicine》2024年第11期486-499,共14页Suresh Yarrappagaari Lavanya Thopireddy Srinivasulu Cheemanapalli Venkata Ramireddy Narala Rajeswara Reddy Saddala 
supported by University Grants Commission-Rajiv Gandhi National Fellowship[F1-17.1/2016-17/RGNF-2015-17-SC-AND 6017/(SAIII/Website)].
Objective:To evaluate the cardioprotective effect of bioassay-guided isolated fractions of Cleome viscosa methanolic extract in streptozotocin-induced diabetic rats.Methods:Total phenolics,flavonoids,and in vitro anti...
关键词：Cleome viscosa L. CARDIOPROTECTION Cardiac markers DOCKING CK-MB GC-MS Diabetes 
Discovering peptides and computational investigations of a multiepitope vaccine target Mycobacterium tuberculosis被引量：1
《Synthetic and Systems Biotechnology》2024年第3期391-405,共15页Truc Ly Nguyen Heebal Kim 
Mycobacterium tuberculosis(MTB)is the causative agent of tuberculosis(TB),a prevalent airborne infectious disease.Despite the availability of the Bacille Calmette-Guerin vaccine,its global efficacy remains modest,and ...
关键词：Mycobacterium tuberculosis TUBERCULOSIS Multiepitope vaccine Docking molecular Molecular dynamics simulation Immune simulation 
Integrating immunoinformatics and computational epitope prediction for a vaccine candidate against respiratory syncytial virus
《Infectious Disease Modelling》2024年第3期763-774,共12页Truc Ly Nguyen Heebal Kim 
The authors are thankful to the Research Institute of Agriculture and Life Sciences,Seoul National University,and the BK21 FOUR Program of the Department of Agricultural Biotechnology,Seoul National University,Seoul,Republic of Korea,for supporting the research work;This research was supported by a fund(Project Code No.Z-1543082-2019-20-01)by Research of Animal and Plant Quarantine Agency,Republic of Korea.
Respiratory syncytial virus(RSV)poses a significant global health threat,especially affecting infants and the elderly.Addressing this,the present study proposes an innovative approach to vaccine design,utilizing immun...
关键词：Respiratory syncytial virus Multiepitope vaccine IMMUNOINFORMATICS Docking molecular Molecular dynamics simulation Immune simulation 
Curcumin for gastric cancer:Mechanism prediction via network pharmacology,docking,and in vitro experiments被引量：1
《World Journal of Gastrointestinal Oncology》2024年第8期3635-3650,共16页Peng-Hui Yang Ya-Nan Wei Bi-Juan Xiao Si-Yi Li Xin-Long Li Liang-Jun Yang Hua-Feng Pan Geng-Xin Chen 
Supported by the National Nature Science Foundation of China,No.81273735 and No.82174319;the Natural Science Foundation of Guangdong Province,China,No.2021A1515010961;the Key-Area Research and Development Program of Guangdong Province,China,No.2020B1111100011;the China Postdoctoral Science Foundation,China,No.2023M740859.
BACKGROUND Curcumin originates from the natural herb turmeric,and its antitumor effects have been known about for a long time.However,the mechanism by which curcumin affects gastric cancer(GC)has not been elucidated.A...
关键词：CURCUMIN Gastric cancer Network pharmacology Molecular docking Survival analysis 
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