Identification of potential inhibitors of tropomyosin receptor kinase B targeting CNS-related disorders and cancers (Englisch)
- Neue Suche nach: Hakami, Mohammed Ageeli
- Neue Suche nach: Alotaibi, Bader S.
- Neue Suche nach: Hazazi, Ali
- Neue Suche nach: Shafie, Alaa
- Neue Suche nach: Alsaiari, Ahad Amer
- Neue Suche nach: Ashour, Amal Adnan
- Neue Suche nach: Anjum, Farah
- Neue Suche nach: Hakami, Mohammed Ageeli
- Neue Suche nach: Alotaibi, Bader S.
- Neue Suche nach: Hazazi, Ali
- Neue Suche nach: Shafie, Alaa
- Neue Suche nach: Alsaiari, Ahad Amer
- Neue Suche nach: Ashour, Amal Adnan
- Neue Suche nach: Anjum, Farah
In:
Journal of Biomolecular Structure and Dynamics
;
42
, 6
;
2965-2975
;
2024
- Aufsatz (Zeitschrift) / Elektronische Ressource
-
Titel:Identification of potential inhibitors of tropomyosin receptor kinase B targeting CNS-related disorders and cancers
-
Beteiligte:Hakami, Mohammed Ageeli ( Autor:in ) / Alotaibi, Bader S. ( Autor:in ) / Hazazi, Ali ( Autor:in ) / Shafie, Alaa ( Autor:in ) / Alsaiari, Ahad Amer ( Autor:in ) / Ashour, Amal Adnan ( Autor:in ) / Anjum, Farah ( Autor:in )
-
Erschienen in:Journal of Biomolecular Structure and Dynamics ; 42, 6 ; 2965-2975
-
Verlag:
- Neue Suche nach: Taylor & Francis
-
Erscheinungsdatum:12.04.2024
-
Format / Umfang:11 pages
-
ISSN:
-
DOI:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Elektronische Ressource
-
Sprache:Englisch
-
Schlagwörter:
-
Datenquelle:
Inhaltsverzeichnis – Band 42, Ausgabe 6
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 2747
-
Interaction and simulation studies suggest the possible molecular targets of intrinsically disordered amyloidogenic antimicrobial peptides in Acinetobacter baumanniiSarkar, Sayani / Kumari, Aruna / Tiwari, Monalisa / Tiwari, Vishvanath et al. | 2024
- 2765
-
System-level protein interaction network analysis and molecular dynamics study reveal interaction of ferulic acid with PTGS2 as a natural radioprotectorGollapalli, Pavan / Ashok, Avinash Karkada / G, Tamizh Selvan et al. | 2024
- 2782
-
Subtractive sequence-mediated therapeutic targets from the conserved gene clusters of Campylobacter hyointestinalis and computational inhibition assessmentBasharat, Zarrin / Alghamdi, Youssef Saeed / Mashraqi, Mutaib M. / Makkawi, Mohammed / Alasmari, Sultan / Alshamrani, Saleh et al. | 2024
- 2793
-
Development of novel chromones as antioxidant COX2 inhibitors: in vitro, QSAR, DFT, molecular docking, and molecular dynamics studiesLakkadi, Arunapriya / Vuppala, Srimai / Nampally, Venkatesh / Kim, Jaeyoung / Kim, Kiduk / Jang, Joonkyung / Tigulla, Parthasarathy et al. | 2024
- 2809
-
A high-throughput molecular dynamics screening (HTMDS) approach to the design of novel cyclopeptide inhibitors of ATAD2B based on the non-canonical combinatorial libraryChen, Zhidong / Li, Yongxiao / Wang, Xinpei / Qiu, Xiaohui / Wang, Chenglin / Wang, Zhe / Chen, Xu / Wang, Junqing et al. | 2024
- 2825
-
Modeling the Annexin A1-S100A11 heterotetramer: a molecular dynamics investigation of structure and correlated motionSanchez, Wesley / Lindsay, Samuel / Li, Yumin et al. | 2024
- 2834
-
Investigation of the mechanism of action of chemical constituents of celery seed against gout disease using network pharmacology, molecular docking, and molecular dynamics simulationsHang, Nguyen Thu / Han, Do Khai / My, Than Thi Kieu / Phuong, Nguyen Van et al. | 2024
- 2846
-
Molecular docking, pharmacokinetic prediction and molecular dynamics simulations of tankyrase inhibitor compounds with the protein glucokinase, induced in the development of diabetesKhamlich, Jihane / Douiyeh, Imane / Saih, Asmae / Moussamih, Samya / Regragui, Anas / Kettani, Anass / Safi, Amal et al. | 2024
- 2859
-
Glucose regulation by newly synthesized boronic acid functionalized molecules as dipeptidyl peptidase IV inhibitor: a potential compound for therapeutic intervention in hyperglycaemiaPrajapati, Namrata / Sharma, Dilip / Ashok Bidve, Pankaj / Chouhan, Deepak / Allani, Meghana / kumar Patel, Sagar / Ghosh Chowdhury, Moumita / Shard, Amit / Tiwari, Vinod / Akhilesh et al. | 2024
- 2872
-
Pan-genome mediated therapeutic target mining in Kingella kingae and inhibition assessment using traditional Chinese medicinal compounds: an informatics approachBasharat, Zarrin / Meshal, Alotaibi et al. | 2024
- 2886
-
Role of deleterious nsSNPs of klotho protein and their drug response: a computational mechanical insightsJayaraj, John Marshal / Muthusamy, Karthikeyan et al. | 2024
- 2897
-
Evaluation of phytochemicals from Thymus serpyllum as potential drug candidates to manage oxidative stress in transition dairy cowsAzhar, Jahanzaib / Nadeem, Asif / Javed, Maryam / Ahmad, Hafiz Ishfaq / Hassan, Faiz-ul / Shah, Faisal Sheraz et al. | 2024
- 2913
-
High-throughput screening and molecular dynamics simulations of natural products targeting LuxS/AI-2 system as a novel antibacterial strategy for antibiotic resistance in Helicobacter pyloriAshok, Avinash Karkada / Gnanasekaran, Tamizh Selvan / Santosh Kumar, Hulikal Shivashankara / Srikanth, Koigoora / Prakash, Nayana / Gollapalli, Pavan et al. | 2024
- 2929
-
Molecular dynamics simulations reveal phosphorylation-induced conformational dynamics of the fibroblast growth factor receptor 1 kinaseMahapatra, Subhasmita / Jonniya, Nisha Amarnath / Koirala, Suman / Kar, Parimal et al. | 2024
- 2942
-
DFT, molecular docking and molecular dynamics simulation studies on some recent natural products revealing their EGFR tyrosine kinase inhibition potentialErdogan, Taner / Oguz Erdogan, Fatma et al. | 2024
- 2957
-
Trypsin is inhibited by phytocompounds liquiritin and terpinen-4-ol from the herb Glycyrrhiza glabra: in vitro and in silico studiesAbhithaj, J. / Sharanya, C. S. / Arun, K. G. / Jayadevi Variyar, E. / Sadasivan, C. et al. | 2024
- 2965
-
Identification of potential inhibitors of tropomyosin receptor kinase B targeting CNS-related disorders and cancersHakami, Mohammed Ageeli / Alotaibi, Bader S. / Hazazi, Ali / Shafie, Alaa / Alsaiari, Ahad Amer / Ashour, Amal Adnan / Anjum, Farah et al. | 2024
- 2976
-
A computational quest for identifying potential vaccine candidates against Moraxella lacunata: a multi-pronged approachUllah, Asad / ul Haq, Mahboob / Iqbal, Madiha / Irfan, Muhammad / Khan, Saifullah / Muhammad, Riaz / Ullah, Amin / Khurram, Muhammad / Alharbi, Metab / Alasmari, Abdullah F. et al. | 2024
- 2990
-
Evaluation of the inhibitory potency of anti-dengue phytocompounds against DENV-2 NS2B-NS3 protease: virtual screening, ADMET profiling and molecular dynamics simulation investigationsPurohit, Priyanka / Barik, Debashis / Agasti, Sidhartha / Panda, Madhusmita / Meher, Biswa Ranjan et al. | 2024
- 3010
-
Structural and energetic insights into the selective inhibition of PKMYT1 against WEE1Qi, Xuesen / Li, Guozhen / Liu, Jiahai / Mou, Linkai / Zhang, Yusheng / Guo, Shilin / Chen, Xiangyu / Li, Wenxing et al. | 2024
- 3019
-
De novo generation of dual-target ligands for the treatment of SARS-CoV-2 using deep learning, virtual screening, and molecular dynamic simulationsHumayun, Fahad / Khan, Fatima / Khan, Abbas / Alshammari, Abdulrahman / Ji, Jun / Farhan, Ali / Fawad, Nasim / Alam, Waheed / Ali, Arif / Wei, Dong-Qing et al. | 2024
- 3030
-
Antimicrobial activity of Geranyl acetate against cell wall synthesis proteins of P. aeruginosa and S. aureus using molecular docking and simulationManjunath, Anvita / Chinmayi, G. V. Anoushka / Renganathan, Shruti / Chandramohan, Vivek / Sabat, Sasmita et al. | 2024
- 3051
-
Multitargeted molecular docking and dynamics simulation studies of flavonoids and volatile components from the peel of Citrus sinensis L. (Osbeck) against specific tumor protein markersRajiv Gandhi, Gopalsamy / Sharanya, Chelankara Suresh / Jayanandan, Abhithaj / Haridas, Madathilkovilakath / Edwin Hillary, Varghese / Rajiv Gandhi, Sathiyabama / Sridharan, Gurunagarajan / Sivasubramanian, Rengaraju / Silva Vasconcelos, Alan Bruno / Montalvão, Monalisa Martins et al. | 2024
- 3081
-
New insights into the anti-apoptotic mechanism of natural polyphenols in complex with Bax proteinZhang, Wenyuan / Zhuang, Songjuan / Guan, Hui / Li, Feng / Zou, Hui / Li, Dapeng et al. | 2024
- 3094
-
Deciphering the structure of a distinctive trimodular cellulosomal licheninase (RfGH16_21), a family 16 glycoside hydrolase from Ruminococcus flavefaciens by computational and experimental methodsAhmed, Jebin / Poonia, Ashish / Goyal, Arun et al. | 2024
- 3108
-
Conformational dynamics of trypsin in the presence of caffeic acid: a spectroscopic and computational investigationYadollahi, Elham / Shareghi, Behzad / Farhadian, Sadegh / Hashemi Shahraki, Fatemeh et al. | 2024
- 3118
-
Discovering phenoxy acetohydrazide derivatives as urease inhibitors and molecular docking studiesTaha, Muhammad / Rahim, Fazal / Uddin, Imad / Amir, Mohd / Iqbal, Naveed / Wadood, Abdul / Khan, Khalid Mohammed / Uddin, Nizam / Rehman, Ashfaq Ur / Farooq, Rai Khalid et al. | 2024
- 3128
-
PACAP key interactions with PAC1, VPAC1, and VPAC2 identified by molecular dynamics simulationsMeireles, Fernando Augusto T. P. / Antunes, Deborah / Temerozo, Jairo R. / Bou-Habib, Dumith Chequer / Caffarena, Ernesto Raul et al. | 2024
- 3145
-
Visible-light promoted catalyst-free (VLCF) multi-component synthesis of spiro indolo-quinazolinone-pyrrolo[3,4-a]pyrrolizine hybrids: evaluation of in vitro anticancer activity, molecular docking, MD simulation and DFT studiesIqbal, Safia / Farhanaz / Roohi / Zaheer, Mohd. Rehan / Shankar, Krapa / Hussain, Mohd. Kamil / Zia, Qamar / Rehman, Md. Tabish / AlAjmi, Mohamed F. / Gupta, Anamika et al. | 2024
- 3166
-
S-adenosyl-l-methionine interaction signatures in methyltransferasesKadam, Mangal S. / Burra, V. L. S. Prasad et al. | 2024
- 3177
-
Spectroscopic and in silico evaluation of hesperetin, aglycone flavanone, as a prospective regulatory ligand for human salivary α-amylaseAdebayo, Masaudat A. / Kolawole, Adejoke N. / Falese, Babatunde A. / Kolawole, Ayodele O. et al. | 2024
- 3193
-
Exploring the potential of phytochemicals as inhibitors of 3'-phosphoadenosine 5'-phosphosulfate synthase 1 targeting cancer therapyAlharbi, Bandar / Alharethi, Salem Hussain / Al-Soud, Waleed Abu / Ahmed Al-Keridis, Lamya / Aljohani, Abdullah A. / Jairajpuri, Deeba Shamim / Alshammari, Nawaf / Adnan, Mohd et al. | 2024
- 3204
-
Identification of potent anti-fibrinolytic compounds against plasminogen and tissue-type plasminogen activator employing in silico approachesBanerjee, Suparna / Mahesh, Yeshwanth / Prabhu, Dhamodharan / Sekar, Kanagaraj / Sen, Prosenjit et al. | 2024
- 3223
-
Mechanistic insight of α-mangostin encapsulation in 2-hydroxypropyl-β-cyclodextrin for solubility enhancementMuchtaridi, Muchtaridi / Triwahyuningtyas, Dian / Muhammad Fakih, Taufik / Megantara, Sandra / Choi, Sy Bing et al. | 2024
- 3233
-
Computational pharmacology profiling of borapetoside C against melanomaBhattacharya, Kunal / Khanal, Pukar / Patil, Vishal S. / Dwivedi, Prarambh S. R. / Chanu, Nongmaithem Randhoni / Chaudhary, Raushan Kumar / Deka, Satyendra / Chakraborty, Arup et al. | 2024
- 3249
-
Flavonostilbenes natural hybrids from Rhamnoneuron balansae as potential antitumors targeting ALDH1A1: molecular docking, ADMET, MM-GBSA calculations and molecular dynamics studiesElsaman, Tilal / Ahmad, Iqrar / Eltayib, Eyman Mohamed / Suliman Mohamed, Malik / Yusuf, Osman / Saeed, Mohamed / Patel, Harun / Mohamed, Magdi Awadalla et al. | 2024
- 3267
-
Structure-based virtual screening of anti-breast cancer compounds from Artemisia absinthium—insights through molecular docking, pharmacokinetics, and molecular dynamic simulationsGnanaselvan, Suvathika / Yadav, Sangilimuthu Alagar / Manoharan, Sowmya Priya et al. | 2024
- 3286
-
Targeting bladder cancer with Trigonella foenum-graecum: a computational study using network pharmacology and molecular dockingBitam, Said / Hamadache, Mabrouk / Hanini, Salah et al. | 2024