Vote for your favorite mineral in #MinCup25! - Paddlewheelite vs. Mannardite
It's a battle of the tiny as bright green #paddlewheelite goes up against jet black #mannardite. Both are small yet mighty minerals, but only one can win!
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Nakkala, Sravanthi, Modak, Chandrima, Bathula, Revanth, Lanka, Goverdhan, Somadi, Gururaj, Sreekanth, Sivan, Jain, Alok, Potlapally, Sarita Rajender (2022) Identification of new anti-cancer agents against CENTERIN: Structure-based virtual screening, AutoDock and binding free energy studies. Journal of Molecular Structure, 1270. Elsevier BV. 133952 doi:10.1016/j.molstruc.2022.133952

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleIdentification of new anti-cancer agents against CENTERIN: Structure-based virtual screening, AutoDock and binding free energy studies
JournalJournal of Molecular Structure
AuthorsNakkala, SravanthiAuthor
Modak, ChandrimaAuthor
Bathula, RevanthAuthor
Lanka, GoverdhanAuthor
Somadi, GururajAuthor
Sreekanth, SivanAuthor
Jain, AlokAuthor
Potlapally, Sarita RajenderAuthor
Year2022 (December)Volume1270
PublisherElsevier BV
DOIdoi:10.1016/j.molstruc.2022.133952Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16615263Long-form Identifiermindat:1:5:16615263:0
GUID0
Full ReferenceNakkala, Sravanthi, Modak, Chandrima, Bathula, Revanth, Lanka, Goverdhan, Somadi, Gururaj, Sreekanth, Sivan, Jain, Alok, Potlapally, Sarita Rajender (2022) Identification of new anti-cancer agents against CENTERIN: Structure-based virtual screening, AutoDock and binding free energy studies. Journal of Molecular Structure, 1270. Elsevier BV. 133952 doi:10.1016/j.molstruc.2022.133952
Plain TextNakkala, Sravanthi, Modak, Chandrima, Bathula, Revanth, Lanka, Goverdhan, Somadi, Gururaj, Sreekanth, Sivan, Jain, Alok, Potlapally, Sarita Rajender (2022) Identification of new anti-cancer agents against CENTERIN: Structure-based virtual screening, AutoDock and binding free energy studies. Journal of Molecular Structure, 1270. Elsevier BV. 133952 doi:10.1016/j.molstruc.2022.133952
In(2022) Journal of Molecular Structure Vol. 1270. Elsevier BV

See Also

These are possibly similar items as determined by title/reference text matching only.

Bhargavi, Manan, Sivan, Sree Kanth, Potlapally, Sarita Rajender (2017) Identification of novel anti cancer agents by applying insilico methods for inhibition of TSPO protein. Computational Biology and Chemistry, 68. 43-55 doi:10.1016/j.compbiolchem.2016.12.016
Rondla, Rohini, Padma Rao, Lavanya Souda, Ramatenki, Vishwanath, Vadija, Rajender, Mukkera, Thirupathi, Potlapally, Sarita Rajender, Vuruputuri, Uma (2017) Azolium analogues as CDK4 inhibitors: Pharmacophore modeling, 3D QSAR study and new lead drug discovery. Journal of Molecular Structure, 1134. 482-491 doi:10.1016/j.molstruc.2016.12.106
Bhakhar, Kaushikkumar A., Gajjar, Normi D., Bodiwala, Kunjan B., Sureja, Dipen K., Dhameliya, Tejas M. (2021) Identification of anti-mycobacterial agents against mmpL3: Virtual screening, ADMET analysis and MD simulations. Journal of Molecular Structure, 1244. 130941 doi:10.1016/j.molstruc.2021.130941
Oggu, Sujana, Mallavarapu, Bala Divya, Natarajan, Pradeep, Malempati, Srimannarayana, Gundla, Rambabu (2022) Synthesis, Cytotoxicity and Molecular Docking Studies of Chalcone Incorporated 1,2,3-Triazol-1,3,5-Triazin-Quinazoline as Anti-Cancer Agents. Journal of Molecular Structure, 1266. Elsevier BV. 133412 doi:10.1016/j.molstruc.2022.133412
Chen, Shuangkou, Tan, Xiaoqing, Tang, Si, Xu, Mingxin, Xu, Xi, Ren, Fengming, Yang, Zhenning (2022) Discovery of novel 5β€²-methylthioadenosine nucleosidase inhibitors by virtual screening and bioassays. Journal of Molecular Structure, 1270. Elsevier BV. 133948 doi:10.1016/j.molstruc.2022.133948
El-Sofany, Walaa I., El-sayed, Wael A., Abd-Rabou, Ahmed A., El-Shahat, Mahmoud (2022) Synthesis of new imidazole-triazole-glycoside hybrids as anti-breast cancer candidates. Journal of Molecular Structure, 1270. Elsevier BV. 133942 doi:10.1016/j.molstruc.2022.133942
Kumari, Reena, Rathi, Ravi, Pathak, Seema R, Dalal, Vikram (2022) Structural-based virtual screening and identification of novel potent antimicrobial compounds against YsxC of Staphylococcus aureus. Journal of Molecular Structure, 1255. 132476 doi:10.1016/j.molstruc.2022.132476
Venkata Ramana, P., Rama Krishna, Y., Chandra Mouli, K. (2022) Experimental (FT-IR, UV-Vis) spectroscopic analysis and molecular docking investigations of anti-cancer drugs Alkeran and Bicalutamide. Journal of Molecular Structure, 1270. Elsevier BV. 133984 doi:10.1016/j.molstruc.2022.133984
Shen, Rui, Li, Xiangyu, Chen, Yuhong, Yang, Aihong, Kou, Xiaodi (2022) Xanthone derivatives as potential telomeric G-quadruplex stabilizing and cytotoxic agents: Effects of substitution on quadruplex binding affinity and cytotoxicity. Journal of Molecular Structure, 1270. Elsevier BV. 133894 doi:10.1016/j.molstruc.2022.133894
Kumar, Avinash, Rathi, Ekta, Kini, Suvarna G. (2019) E-pharmacophore modelling, virtual screening, molecular dynamics simulations and in-silico ADME analysis for identification of potential E6 inhibitors against cervical cancer. Journal of Molecular Structure, 1189. 299-306 doi:10.1016/j.molstruc.2019.04.023
Kirishnamaline, G., Magdaline, J. Daisy, Chithambarathanu, T. (2023) Structural elucidation, spectroscopic investigation, in silico docking, and in vitro cytotoxicity studies of chromone derivatives as potential anti-breast cancer agents. Journal of Molecular Structure, 1284. Elsevier BV. 135306 doi:10.1016/j.molstruc.2023.135306
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are Β© OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 16, 2025 07:15:01
Go to top of page