المؤلفون: Yujing Xu, Zhe Yang, Jinrong Yang, Chunchun Gan, Nan Qin, Xiaopeng Wei

المصدر: Frontiers in Pharmacology, Vol 15 (2024)

مصطلحات موضوعية: PHGDH, cancer, 3D-QSAR pharmacophore model, ADME/T, molecule docking, molecular dynamics simulation, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fphar.2024.1405350/full; https://doaj.org/toc/1663-9812

URL الوصول: https://doaj.org/article/f0ebabd0fb9c407c804bb64209dc4023

المؤلفون: He R, Jia B, Peng D, Chen W

المصدر: Drug Design, Development and Therapy, Vol Volume 17, Pp 3625-3660 (2023)

مصطلحات موضوعية: caged polyprenylated xanthones, pharmacological effects, antitumor, modification, adme/t properties, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://www.dovepress.com/caged-polyprenylated-xanthones-in-garcinia-hanburyi-and-the-biological-peer-reviewed-fulltext-article-DDDT; https://doaj.org/toc/1177-8881

URL الوصول: https://doaj.org/article/3492cfd71ebb43dda75f4a87527766ef

المؤلفون: Vivek K. Kashyap, Bhuvnesh P. Sharma, Divya Pandey, Ajay K. Singh, Godwin Peasah-Darkwah, Bhupesh Singh, Kuldeep K. Roy, Murali M. Yallapu, Subhash C. Chauhan

المصدر: Cells ; Volume 13 ; Issue 24 ; Pages: 2053

مصطلحات موضوعية: Perinucleolar compartment (PNC), RNA polymerase III transcripts, metarrestin, cancer metastasis, eEF1A1, eEF1A2, pharmacokinetic/toxic properties (ADME/T)

وصف الملف: application/pdf

Relation: Cell and Gene Therapy; https://dx.doi.org/10.3390/cells13242053

الاتاحة: https://doi.org/10.3390/cells13242053

المؤلفون: Kshirasagar, Shivaraj, Dodamani, Suneel, Bhatkal, Abhijit

المصدر: International Journal of Ayurvedic Medicine; Vol. 15 No. 1 (2024): January - March 2024; 226-237 ; 0976-5921 ; 10.47552/ijam.v15i1

مصطلحات موضوعية: Type-2 diabetes mellitus, Bryophyllum pinnatum, Dipeptidyl peptidase-4, In-silico Analysis, ADME/T Prediction, GLP-1, GIP

وصف الملف: application/pdf

Relation: https://www.ijam.co.in/index.php/ijam/article/view/4316/1215; https://www.ijam.co.in/index.php/ijam/article/view/4316

الاتاحة: https://www.ijam.co.in/index.php/ijam/article/view/4316
https://doi.org/10.47552/ijam.v15i1.4316

المؤلفون: Dhrubajyoti Majumdar, Jessica Elizabeth Philip, Burak Tüzün, Dipankar Sutradhar, Sourav Roy

المصدر: Results in Chemistry, Vol 6, Iss , Pp 101228- (2023)

مصطلحات موضوعية: Adamantan-1-amine, DFT, AIM/NCI, Docking, ADME/T, Antibacterial/Fungal, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2211715623004678; https://doaj.org/toc/2211-7156

URL الوصول: https://doaj.org/article/3a157d27c22c405fbf1aa55b135a7db7

المؤلفون: Gabriel Christian de Farias Morais, Umberto Laino Fulco, Edilson Dantas da Silva, Claudio Bruno Silva de Oliveira, Jonas Ivan Nobre Oliveira

المصدر: International Journal of Translational Medicine, Vol 3, Iss 2, Pp 183-186 (2023)

مصطلحات موضوعية: Monkeypox, tecovirimat, physicochemical descriptors, pharmacokinetic, toxicity, ADME-T, Computer applications to medicine. Medical informatics, R858-859.7

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2673-8937/3/2/13; https://doaj.org/toc/2673-8937

URL الوصول: https://doaj.org/article/05f26ce981fd4d338440c4a7d33b30e8

المؤلفون: Yanli Yu, JianJun Wang

المصدر: International Journal of Food Properties, Vol 25, Iss 1, Pp 1974-1986 (2022)

مصطلحات موضوعية: 4-Butylresorcinol, leukemia, HMG-CoA reductase, Molecular docking, ADME/T, Nutrition. Foods and food supply, TX341-641, Food processing and manufacture, TP368-456

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1094-2912; https://doaj.org/toc/1532-2386

URL الوصول: https://doaj.org/article/62c7831141504728b936123bdb40a41e

المؤلفون: Patadiya, Nikunj^{1, 1}, Vaghela, Vipul²

المصدر: Asian Journal of Pharmaceutical Research 12(3):207-211. 2022

المؤلفون: Dhrubajyoti Majumdar, Amit Dubey, Aisha Tufail, Dipankar Sutradhar, Sourav Roy

المصدر: Heliyon, Vol 9, Iss 6, Pp e16057- (2023)

مصطلحات موضوعية: Salen ligand, DFT, Molecular docking, Molecular dynamics, ADME/T, Toxicity, Science (General), Q1-390, Social sciences (General), H1-99

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405844023032644; https://doaj.org/toc/2405-8440

URL الوصول: https://doaj.org/article/a7bd6f30d8294023bbb0c20dafed26d0

المؤلفون: Parvatikar, Prachi¹, Saha, Bhaskar^{2, 1}, Das, Sayandeep K.^{1, 2}, Reddy, R. Chandramouli^{1, 3}, Bagali, Shrilaxmi^{1, 4}, Kulkarni, Raghavendra V.^{3, 5}, Patil, Aravind V.^{4, 6}, Biradar, Mallanagoud S.^{5, 7}, Das, Kusal K.^{1, 8}

المصدر: Research Journal of Pharmacy and Technology 15(2):555-558. 2022

المؤلفون: Dhrubajyoti Majumdar, Jessica Elizabeth Philip, Amit Dubey, Aisha Tufail, Sourav Roy

المصدر: Heliyon, Vol 9, Iss 5, Pp e16103- (2023)

مصطلحات موضوعية: Antibacterial, ADME/T, DFT, Molecular dynamics, Toxicity, Science (General), Q1-390, Social sciences (General), H1-99

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405844023033108; https://doaj.org/toc/2405-8440

URL الوصول: https://doaj.org/article/575252fd9d3f453bb3f1c6123781e071

المؤلفون: Rehman, H. M., Sajjad, M., Ali, M. A., Gul, R., Naveed, M., Aslam, M. S., Shinwari, K., Bhinder, M. A., Ghani, M. U., Saleem, M., Rather, M. A., Ahmad, I., Amin, A.

المصدر: International Journal of Biological Macromolecules

مصطلحات موضوعية: ADME/T, COVID-19, REAL DATABASE – ENAMINE, RNA-DEPENDENT RNA POLYMERASE MM-GBSA, 2 CHLORO 3 ISOPROPOXY N [(1 OXO 1,2,3,4 TETRAHYDRO 4 ISOQUINOLINYL)METHYL] BENZAMIDE, 4 [[[[ 1 METHYL 2 (1 METHYL 1H IMIDAZOL 2 YL) 6 OXO 3 PIPERIDINYL]METHYL]AMINO] METHYL]BENZAMIDE, 5 (3,4,5 TRIMETHOXYPHENYL) 1H PYRAZOLE 3 CARBOHYDRAZIDE, N [(2,1,3 BENZOTHIADIAZOL 4 YL) METHYL] 5 [(MORPHOLIN 4 YL) METHYL]PYRIDIN 2 AMINE, N [(5 FLUORO 1H BENZIMIDAZOL 4 YL)METHYL] 2 (METHOXYMETHYL) 6 METHYL 4 PYRIMIDINAMINE, N2 [2 [1 [[1 METHYL 4 PIPERIDINYL]ACETYL] 3 PIPERIDINYL]ETHYL]GLYCINAMIDE, REMDESIVIR, RNA DIRECTED RNA POLYMERASE, RNA DIRECTED RNA POLYMERASE INHIBITOR, UNCLASSIFIED DRUG, ARTICLE, COMPLEX FORMATION, CONTROLLED STUDY, DRUG DETERMINATION, DRUG EFFECT, DRUG POTENCY, DRUG SCREENING, DRUG STRUCTURE, HIGH THROUGHPUT SCREENING, HYDROGEN BOND, HYDROPHOBICITY, LIGAND BINDING, MOLECULAR DOCKING, MOLECULAR DYNAMICS, NONHUMAN, PHARMACOPHORE

وصف الملف: application/pdf

Relation: Rehman, HM, Sajjad, MA, Ali, MA, Gul, R, Naveed, M, Aslam, MS, Shinwari, K, Bhinder, MA, Ghani, MU, Saleem, MH, Rather, MA, Ahmad, I & Amin, A 2023, 'Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches', International Journal of Biological Macromolecules, № 237, 124169. https://doi.org/10.1016/j.ijbiomac.2023.124169; Rehman, H. M., Sajjad, M. A., Ali, M. A., Gul, R., Naveed, M., Aslam, M. S., Shinwari, K., Bhinder, M. A., Ghani, M. U., Saleem, M. H., Rather, M. A., Ahmad, I., & Amin, A. (2023). Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches. International Journal of Biological Macromolecules, (237), [124169]. https://doi.org/10.1016/j.ijbiomac.2023.124169; Final; All Open Access, Bronze, Green; https://www.scopus.com/inward/record.uri?eid=2-s2.0-85151298435&doi=10.1016%2fj.ijbiomac.2023.124169&partnerID=40&md5=37789cb6a4ea0a317d404b8a4a4d3c38; https://doi.org/10.1016/j.ijbiomac.2023.124169; http://elar.urfu.ru/handle/10995/130322; 85151298435; 001024410100001

الاتاحة: http://elar.urfu.ru/handle/10995/130322
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85151298435&doi=10.1016%2fj.ijbiomac.2023.124169&partnerID=40&md5=37789cb6a4ea0a317d404b8a4a4d3c38
https://doi.org/10.1016/j.ijbiomac.2023.124169

المؤلفون: Mermer, Arif, Tüzün,Burak, Daştan, Sevgi Durna, Çevik, Ozge

المساهمون: Sivas Meslek Yüksekokulu

مصطلحات موضوعية: Antimicrobial, Antioxidant, Cytotoxicity, DNA interaction, Molecular docking, ADME/T

وصف الملف: application/pdf

Relation: https://doi.org/10.1016/j.poly.2023.116487; Polyhedron; Uluslararası Hakemli Dergide Makale - Kurum Öğretim Elemanı; https://hdl.handle.net/20.500.12418/14985; 242; 116487

الاتاحة: https://hdl.handle.net/20.500.12418/14985

المؤلفون: Ozmen, Ummuhan Ozdemir, Tuzun, Burak, Ayan, Esra Bilen, Cevrimli, Bekir Sıtkı

المساهمون: Sivas Meslek Yüksekokulu, orcid:0000-0002-0420-2043

مصطلحات موضوعية: Sulfonylhydrazone, Green chemistry, Choline esterase enzyme inhibition, Molecular docking, ADME/T

وصف الملف: application/pdf

Relation: https://doi.org/10.1016/j.molstruc.2023.135514; Uluslararası Editör Denetimli Dergide Makale; https://hdl.handle.net/20.500.12418/14227; 1286; 135514

الاتاحة: https://hdl.handle.net/20.500.12418/14227

المؤلفون: Ferdaous Hasni, Ismail Daoud, Nadjib Melkemi

المصدر: Chemistry Proceedings, Vol 14, Iss 1, p 77 (2023)

مصطلحات موضوعية: AChE/BuChE, 2-hydroxy-N-phenylbenzamide derivatives, molecular docking, QSAR, ADME-T, interactions, Chemistry, QD1-999

Relation: https://www.mdpi.com/2673-4583/14/1/77; https://doaj.org/toc/2673-4583; https://doaj.org/article/0c7ef03ccae1419c91af7f736313e8be

الاتاحة: https://doi.org/10.3390/ecsoc-27-16075
https://doaj.org/article/0c7ef03ccae1419c91af7f736313e8be

المؤلفون: Palanisamy Prakash, Kuppusamy Selvam, Ekambaram Gayathiri, Thangaraj Pratheep, Rengarajan Manivasagaperumal, Priya Kumaravel, Saravanan Balameena

المصدر: Energy Nexus, Vol 6, Iss , Pp 100080- (2022)

مصطلحات موضوعية: ADME/T, Network analysis, Docking, Molecular Dynamic, SARs-CoV, Renewable energy sources, TJ807-830, Agriculture (General), S1-972

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2772427122000432; https://doaj.org/toc/2772-4271

URL الوصول: https://doaj.org/article/e0783aa343cf47e5b408d463f3f3f62e

المؤلفون: Dejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, Guangyong Chen, Ben Liao, Zhe Wang, Chao Shen, Dongsheng Cao, Jian Wu, Tingjun Hou

المصدر: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-23 (2021)

مصطلحات موضوعية: Graph neural networks, Extreme gradient boosting, Ensemble learning, Deep learning, ADME/T prediction, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/07cf64742f784799a82804abcc3c7356

المؤلفون: Md Mahmudul Hasan, Zidan Khan, Mohammed Salahuddin Chowdhury, Md Arif Khan, Mohammad Ali Moni, Md Habibur Rahman

المصدر: Informatics in Medicine Unlocked, Vol 29, Iss , Pp 100894- (2022)

مصطلحات موضوعية: Insilico study, Molecular docking, ADME/T analysis, Quercetin, Diseases, Computer applications to medicine. Medical informatics, R858-859.7

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352914822000466; https://doaj.org/toc/2352-9148

URL الوصول: https://doaj.org/article/9c8ffb7777ff4bc2b762cd4cd1a25856

المؤلفون: Dhrubajyoti Majumdar, Jessica Elizabeth Philip, Sourav Roy, Burak Tüzün

المصدر: Results in Chemistry, Vol 4, Iss , Pp 100574- (2022)

مصطلحات موضوعية: Salen ligand, Antibacterial, DFT, NLO, Molecular docking, ADME/T, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2211715622002934; https://doaj.org/toc/2211-7156

URL الوصول: https://doaj.org/article/baba3e1405de40168b450c9705bd3661

المؤلفون: Huseynzada A., Mori M., Meneghetti F., Israyilova A., Tuzun G., Sayin K., Chiarelli L. R., Mutlu C., Demiralp M., Hasanova U., Abbasov V.

المساهمون: A. Huseynzada, M. Mori, F. Meneghetti, A. Israyilova, G. Tuzun, K. Sayin, L.R. Chiarelli, C. Mutlu, M. Demiralp, U. Hasanova, V. Abbasov

مصطلحات موضوعية: ADME/T, Crystal structure, Hirshfeld surface analysi, Molecular docking, Thiodihydropyrimidine, Settore CHIM/08 - Chimica Farmaceutica, Settore CHIM/06 - Chimica Organica

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000828407000009; volume:1267; firstpage:1; lastpage:13; numberofpages:13; journal:JOURNAL OF MOLECULAR STRUCTURE; http://hdl.handle.net/2434/936873; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85133529251

الاتاحة: http://hdl.handle.net/2434/936873
https://doi.org/10.1016/j.molstruc.2022.133571