نتائج البحث - "Drug design"

المؤلفون: Huang, Sheng-Qi¹ (AUTHOR), Zhang, Yan-Jun¹ (AUTHOR), Wang, Zhong-Hua² (AUTHOR) wzhsit@163.com, Xiong, Fei¹ (AUTHOR) fxiong@usst.edu.cn

المصدر: New Journal of Chemistry. 12/14/2024, Vol. 48 Issue 46, p19650-19660. 11p.

مصطلحات موضوعية: *SARS-CoV-2, *COMPUTER-assisted drug design, *COVID-19, *DRUG design, *MOLECULAR dynamics

8

Academic Journal

Development of PROTACs using computational approaches.

المؤلفون: Ge, Jingxuan^1,2 (AUTHOR), Hsieh, Chang-Yu¹ (AUTHOR), Fang, Meijing³ (AUTHOR), Sun, Huiyong^1,4 (AUTHOR) huiyongsun@cpu.edu.cn, Hou, Tingjun^1,3 (AUTHOR) tingjunhou@zju.edu.cn

المصدر: Trends in Pharmacological Sciences. Dec2024, Vol. 45 Issue 12, p1162-1174. 13p.

مصطلحات موضوعية: *COMPUTER-assisted drug design, *DRUG design, *MOLECULAR dynamics, *DRUG development, *COMPUTATIONAL chemistry, *DEEP learning

9

Academic Journal

新药开发前沿案例应用于药物设计学教学 --以计算机辅助药物设计章节为例

Alternate Title: Application of Cutting-Edge Case Studies in Drug Development to Drug Designology: A Focus on the Chapter of Computer-Aided Drug Design.

المؤلفون: 王贯¹, 王欣¹, 帅雯¹ shuaiwen05@163.com, 欧阳亮¹ ouyangliang@scu.edu.cn

المصدر: University Chemistry. 2024, Vol. 39 Issue 12, p333-339. 7p.

مصطلحات موضوعية: *COMPUTER-assisted drug design, *DRUG development, *DRUG design, *PHARMACEUTICAL chemistry, *DATABASES

10

Dissertation/ Thesis

COUPY coumarins as privileged scaffolds for the development of novel targeted fluorophores and metalbased PDT anticancer agents

المؤلفون: Rovira Vidal, Anna

المساهمون: University/Department: Universitat de Barcelona. Departament de Química Inorgànica i Orgànica

Thesis Advisors: Marchán Sancho, Vicente

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Disseny de medicaments, Diseño de medicamentos, Drug design, Síntesi de fàrmacs, Síntesis de fármacos, Drug synthesis, Colorants, Colorantes, Coloring matter, Compostos organometàl·lics, Compuestos organometálicos, Organometallic compounds, Química orgànica, Química orgánica, Organic chemistry, Ciències Experimentals i Matemàtiques

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/687856

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11

Academic Journal

fragSMILES as a chemical string notation for advanced fragment and chirality representation.

المؤلفون: Mastrolorito, Fabrizio¹ (AUTHOR), Ciriaco, Fulvio² (AUTHOR), Togo, Maria Vittoria¹ (AUTHOR), Gambacorta, Nicola¹ (AUTHOR), Trisciuzzi, Daniela¹ (AUTHOR), Altomare, Cosimo Damiano¹ (AUTHOR), Amoroso, Nicola¹ (AUTHOR), Grisoni, Francesca^3,4 (AUTHOR) f.grisoni@tue.nl, Nicolotti, Orazio¹ (AUTHOR) orazio.nicolotti@uniba.it

المصدر: Communications Chemistry. 1/29/2025, Vol. 8 Issue 1, p1-9. 9p.

مصطلحات موضوعية: *DRUG design, *CHIRALITY, *SMILING, *SELFIES, *MOLECULES

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12

Academic Journal

A computational chemistry-based approach to optimizing PD-1/PD-L1 inhibitors.

المؤلفون: Zhai, Meijuan¹ (AUTHOR), Ji, Shiliang² (AUTHOR), Hu, Haoran³ (AUTHOR), Wu, Yongjie³ (AUTHOR), Shi, Yi² (AUTHOR), Zhu, Ruifang² (AUTHOR), Jiang, Yiguo² (AUTHOR) jiangyiguo0515@126.com, Yang, Yang² (AUTHOR) jiangyiguo0515@126.com

المصدر: Frontiers in Chemistry. 2025, p1-8. 8p.

مصطلحات موضوعية: *COMPUTER-assisted drug design, *COMPUTER-assisted molecular design, *SMALL molecules, *NON-small-cell lung carcinoma, *DRUG discovery

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13

Academic Journal

Comparative study of degree and neighborhood degree sum-based topological indices for predicting physicochemical properties of skin cancer drug structures.

المؤلفون: Arockiaraj, Micheal¹ (AUTHOR) marockiaraj@gmail.com, Godlin, J. J. Jeni² (AUTHOR), Radha, S.² (AUTHOR)

المصدر: Modern Physics Letters B. Jan2025, p1. 13p. 2 Illustrations.

مصطلحات موضوعية: *DRUG design, *PROGRESSION-free survival, *MOLECULAR connectivity index, *ESSENTIAL drugs, *TOPOLOGICAL degree

14

Academic Journal

2-Aminothiophene Derivatives—New Drug Candidates Against Leishmaniasis: Drug Design, Synthesis, Pharmacomodulation, and Antileishmanial Activity.

المؤلفون: de Araújo, Rodrigo Santos Aquino^1,2 (AUTHOR) rodrigobiologojp@gmail.com, Bernardo, Vitória Gaspar^1,2 (AUTHOR) vit.gaspar.bernardo@gmail.com, Tibúrcio, Robert da Silva³ (AUTHOR) robertstiburcio@gmail.com, Bedor, Danilo Cesar Galindo⁴ (AUTHOR) danilo.bedor@ufpe.br, Campos, Michel Leandro de⁵ (AUTHOR) michel.campos@ufmt.br, Pontarolo, Roberto⁶ (AUTHOR) pontarolo@ufpr.br, de Sousa, Julyanne Maria Saraiva⁷ (AUTHOR) julyannemss@ufdpar.edu.br, Rodrigues, Klinger Antonio da Franca⁶ (AUTHOR) klinger@ufdpar.edu.br, Scotti, Marcus Tullius² (AUTHOR), Nayarisseri, Anuraj⁸ (AUTHOR) anuraj@eminentbio.com, Marchand, Pascal⁹ (AUTHOR) pascal.marchand@univ-nantes.fr, Mendonça-Junior, Francisco Jaime Bezerra^1,2 (AUTHOR) franciscojaime@servidor.uepb.edu.br

المصدر: Pharmaceuticals (14248247). Jan2025, Vol. 18 Issue 1, p125. 21p.

مصطلحات موضوعية: *DRUG design, *LEISHMANIASIS, *DOSAGE forms of drugs, *CYTOTOXINS, *PHARMACOPHORE

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15

Academic Journal

Exploring the Binding Mechanism of ADGRG2 Through Metadynamics and Biochemical Analysis.

المؤلفون: Zhang, Chao¹ (AUTHOR) 202020697@mail.sdu.edu.cn, Zhang, Ru¹ (AUTHOR) ruzhang2000@163.com, Qi, Yuanyuan¹ (AUTHOR) yuanyuanqi1126@163.com, Wen, Xin^1,2 (AUTHOR) xinwensdu@126.com, Sun, Jinpeng^1,2 (AUTHOR) sunjinpeng@sdu.edu.cn, Xiao, Peng^1,2 (AUTHOR) sunjinpeng@sdu.edu.cn

المصدر: International Journal of Molecular Sciences. Jan2025, Vol. 26 Issue 1, p167. 21p.

مصطلحات موضوعية: *DRUG design, *BINDING site assay, *SMALL molecules, *HYDROGEN bonding interactions, *DRUG development

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16

Academic Journal

MicroRNAs: a symphony orchestrating evolution and disease dynamics.

المؤلفون: Quah, Shan¹ (AUTHOR), Subramanian, Gowtham¹ (AUTHOR), Tan, Jonathan S.L.¹ (AUTHOR), Utami, Kagistia Hana² (AUTHOR), Sampath, Prabha^1,3,4,5 (AUTHOR) sampathp@asrl.a-star.edu.sg

المصدر: Trends in Molecular Medicine. Jan2025, Vol. 31 Issue 1, p21-35. 15p.

مصطلحات موضوعية: *REGULATOR genes, *DRUG design, *INDIVIDUALIZED medicine, *POTENTIAL functions, *MICRORNA

17

Academic Journal

Energetics of substrate transport in proton-dependent oligopeptide transporters.

المؤلفون: Selvam, Balaji¹ (AUTHOR), Chiang, Nicole¹ (AUTHOR), Shukla, Diwakar^1,2,3,4 (AUTHOR) diwakar@illinois.edu

المصدر: Communications Chemistry. 12/31/2024, Vol. 7 Issue 1, p1-9. 9p.

مصطلحات موضوعية: *DRUG design, *PEPTIDES, *LIFE sciences, *MOLECULAR dynamics, *BIOLOGICAL membranes

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18

Academic Journal

The known unknowns of the Hsp90 chaperone.

المؤلفون: Silbermann, Laura-Marie¹, Vermeer, Benjamin², Schmid, Sonja² sonja.schmid@unibas.ch, Tych, Katarzyna¹ k.m.tych@rug.nl

المصدر: eLife. 12/31/2024, p1-21. 21p.

مصطلحات موضوعية: *DRUG design, *MOLECULAR chaperones, *HEAT shock proteins, *BIOCHEMICAL substrates, *OPEN-ended questions

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19

Academic Journal

AttenhERG: a reliable and interpretable graph neural network framework for predicting hERG channel blockers.

المؤلفون: Yang, Tianbiao¹ (AUTHOR), Ding, Xiaoyu¹ (AUTHOR), McMichael, Elizabeth² (AUTHOR), Pun, Frank W.² (AUTHOR), Aliper, Alex³ (AUTHOR), Ren, Feng¹ (AUTHOR) feng.ren@insilico.ai, Zhavoronkov, Alex^1,2,3 (AUTHOR) alex@insilico.ai, Ding, Xiao¹ (AUTHOR) xiao.ding@insilico.ai

المصدر: Journal of Cheminformatics. 12/23/2024, Vol. 16 Issue 1, p1-12. 12p.

مصطلحات موضوعية: *GRAPH neural networks, *DRUG design, *DRUG discovery, *DRUG development, *CARDIOTOXICITY, *POTASSIUM channels

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20

Academic Journal

Harnessing RNA‐Protein Interactions for Therapeutic Interventions.

المؤلفون: Goel, Khushboo¹ (AUTHOR), Saraogi, Ishu¹ (AUTHOR) ishu@iiserb.ac.in

المصدر: Chemistry - An Asian Journal. Dec2024, p1. 15p. 11 Illustrations.

مصطلحات موضوعية: *DRUG design, *ANTINEOPLASTIC antibiotics, *SMALL molecules, *ANTINEOPLASTIC agents, *ANTIVIRAL agents

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