首页>美国卫生研究院文献>In Silico Pharmacology

In Silico Pharmacology

【机译】：在硅片药理学

ISSN：-
出版周期：
语言：English

起始发布年份：2013
出版者：Heidelberg : Springer-Verlag, GmbH
出版地：Germany

数据库引入：PubMed: v1, 2013-, PMC

MeSH词表主题词：Drug Design; Pharmacological Phenomena*

备注：Articles added as received to volume in progress. Mode of access: World Wide Web.展开▼

期刊论文

热门论文

年度选择

更多>>

全选（0）

1.Study of intra–inter species protein–protein interactions for potential drug targets identification and subsequent drug design for Escherichia coli O104:H4 C277-11

机译：物种间蛋白间相互作用的研究用于大肠杆菌O104：H4 C277-11的潜在药物靶标鉴定和后续药物设计
- 作者：Shakhinur Islam Mondal;Zabed Mahmud;Montasir Elahi;Arzuba Akter;Nurnabi Azad Jewel;Md. Muzahidul Islam;Sabiha Ferdous;Taisei Kikuchi
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Drug resistance Host–pathogen interactions Homology modeling Molecular docking Protein structure;
2.In silico analysis of Shiga toxins (Stxs) to identify new potential vaccine targets for Shiga toxin-producing Escherichia coli

机译：对志贺毒素（Stxs）进行计算机分析以鉴定产生志贺毒素的大肠杆菌的新潜在疫苗靶标
- 作者：Maryam Golshani;Mana Oloomi;Saeid Bouzari
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- EHEC HUS Vaccine Protein analysis T-cell epitope B-cell epitope;
3.Revealing the potency of Annona muricata leaves extract as FOXO1 inhibitor for diabetes mellitus treatment through computational study

机译：通过计算研究揭示番荔枝番荔枝叶提取物作为FOXO1抑制剂治疗糖尿病的功效
- 作者：Dini Sri Damayanti;Didik Huswo Utomo;Chandra Kusuma
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Anonaine Active compound Annona muricata leaves FOXO1 In silico Isolaureline Kaempferol 3-O-rutinoside Muricatocin A Rutin Xylopine;
4.Molecular docking studies on thirteen fluoroquinolines with human topoisomerase II a and b

机译：十三种氟喹啉与人类拓扑异构酶II a和b的分子对接研究
- 作者：Ashwini Khanderao Jadhav;Sankunny Mohan Karuppayil
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Human DNA topoisomerase II Fluoroquinolines Anticancer Molecular docking In silico Drug repositioning;
5.Molecular characterization modeling in silico analysis of equine pituitary gonadotropin alpha subunit and docking interaction studies with ganirelix

机译：马垂体促性腺激素α亚基的分子表征建模计算机分析和与ganirelix的对接相互作用研究
- 作者：Anuradha Bhardwaj;Varij Nayan;Parvati Sharma;Sanjay Kumar;Yash Pal;Jitender Singh
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Equine Gonadotropin In silico Ganirelix Docking;
6.QSAR modeling docking and ADMET studies for exploration of potential anti-malarial compounds against Plasmodium falciparum

机译：QSAR建模对接和ADMET研究用于探索潜在的抗恶性疟原虫抗疟化合物
- 作者：Tabish Qidwai
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Anti-malarial activity Plasmodium falciparum QSAR Docking ADMET;
7.Computational approaches to the in vitro antibacterial activity of Allium hirtifolium Boiss against gentamicin-resistant Escherichia coli: focus on ribosome recycling factor

机译：百日草对庆大霉素抗性大肠杆菌体外抗菌活性的计算方法：着眼于核糖体回收因子
- 作者：Sakar Emad Ali;Khosrow Chehri;Nasser Karimi;Isaac Karimi
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Allium hirtifolium Boiss Escherichia coli In vitro antibacterial assay In silico molecular docking Ribosome recycling factor;
8.Xeronine structure and function: computational comparative mastery of its mystery

机译：Xeronine的结构和功能：其奥秘的计算比较精通
- 作者：David Morakinyo Sanni;Toluwase Hezekiah Fatoki;Ayodele Oluseyi Kolawole;Afolabi Clement Akinmoladun
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Morinda citrifolia Noni fruit Xeronine De novo drug design Cheminformatics;
9.Exploration of 36-dihydroimidazo(45-d)pyrrolo(23-b)pyridin-2(1H)-one derivatives as JAK inhibitors using various in silico techniques

机译：探索36-dihydroimidazo（45-d）pyrrolo（23-b）pyridin-2（1H）-one衍生物作为JAK抑制剂的各种计算机模拟技术
- 作者：Radhakrishnan S. Jisha;Lilly Aswathy;Vijay H. Masand;Jayant M. Gajbhiye;Indira G. Shibi
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Rheumatoid arthritis Janus kinase 2D and 3D QSAR Weka Molecular docking;
10.Novel dihydropyrimidine derivatives as potential HDAC inhibitors: in silico study

机译：新型二氢嘧啶衍生物可作为潜在的HDAC抑制剂：计算机研究
- 作者：Ganapathi Thipparapu;Rajanna Ajumeera;Vijayalakshmi Venkatesan
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Dihydropyrimidines In Silico Lipinski’s rule Pass online Osiris property explorer HDAC-4 enzyme;
11.Molecular interactions with redox sites and salt bridges modulate the anti-aggregatory effect of flavonoid tannin and cardenolide moieties against amyloid-beta (1–42) in silico

机译：与氧化还原位点和盐桥的分子相互作用调节了类黄酮单宁和心得力部分对计算机中淀粉样β（1-42）的抗聚集作用
- 作者：Rafael Vincent M. Manalo
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Amyloid-beta aggregation Single molecule docking Anti-aggregatory compounds Phytochemical screening;
12.Antiquorum sensing activity of silver nanoparticles in P. aeruginosa: an in silico study

机译：铜绿假单胞菌中银纳米颗粒的抗群体感应活性：计算机研究
- 作者：Syed Ghazanfar Ali;Mohammad Azam Ansari;Qazi Mohd. Sajid Jamal;Haris M. Khan;Mohammad Jalal;Hilal Ahmad;Abbas Ali Mahdi
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- In silico Molecular docking Quorum sensing Pseudomonas aeruginosa Virulence Silver nanoparticles;
13.In silico screening for identification of pyrrolidine derivatives dipeptidyl peptidase-IV inhibitors using COMFA CoMSIA HQSAR and docking studies

机译：在计算机上使用COMFACoMSIAHQSAR和对接研究筛选吡咯烷衍生物二肽基肽酶-IV抑制剂
- 作者：M. C. Sharma;S. Jain;R. Sharma
- 期刊名称：《In Silico Pharmacology》 | 2017年第-1期
- Pyrrolidine CoMFA CoMSIA HQSAR Docking Dipeptidyl peptidase IV;
14.Computational chemistry study of toxicity of some m-tolyl acetate derivatives insecticides and molecular design of structurally related products

机译：乙酸间甲苯酯衍生物杀虫剂毒性的计算化学研究及结构相关产品的分子设计
- 作者：Nnabuk Okon Eddy;Nsikak Bassey Essien
- 期刊名称：《In Silico Pharmacology》 | 2017年第1期
- m-Tolyl acetate insecticides Molecular modeling Quantum topological and physicochemical descriptors;
15.Molecular docking analysis of curcumin analogues against kinase domain of ALK5

机译：姜黄素类似物对ALK5激酶结构域的分子对接分析
- 作者：Shivananda Kandagalla;B. S. Sharath;Basavapattana Rudresh Bharath;Umme hani;Hanumanthappa Manjunatha
- 期刊名称：《In Silico Pharmacology》 | 2017年第1期
- EMT Metastasis TGF-β ALK5 Autodock Vina Curcumin Curcumin analogues;
16.Impact of protein–ligand solvation and desolvation on transition state thermodynamic properties of adenosine A2A ligand binding kinetics

机译：蛋白质-配体的溶剂化和去溶剂化对腺苷A2A配体结合动力学的过渡态热力学性质的影响
- 作者：Giuseppe Deganutti;Andrei Zhukov;Francesca Deflorian;Stephanie Federico;Giampiero Spalluto;Robert M. Cooke;Stefano Moro;Jonathan S. Mason;Andrea Bortolato
- 期刊名称：《In Silico Pharmacology》 | 2017年第1期
- Metadynamics Supervised molecular dynamics Ligand binding kinetics SPR Biacore Molecular dynamics;
17.Molecular docking of selected phytoconstituents with signaling molecules of Ultraviolet-B induced oxidative damage

机译：选定的植物成分与紫外线B诱导的氧化损伤信号分子的分子对接
- 作者：Umar Muzaffer;V. I. Paul;N. Rajendra Prasad
- 期刊名称：《In Silico Pharmacology》 | 2017年第1期
- Oxidative damage Docking Flavonoids TNF-α AP-1 NF-κB;
18.In silico quest of selective naphthyl-based CREBBP bromodomain inhibitor

机译：在计算机上研究基于萘基的选择性CREBBP溴结构域抑制剂
- 作者：Raju Dash;Sarmistha Mitra;Md. Arifuzzaman;S. M. Zahid Hosen
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- Bromodomain CREBBP Selectivity In silico;
19.Molecular modeling of inhibitors against fructose bisphosphate aldolase from Candida albicans

机译：白念珠菌果糖二磷酸醛缩酶抑制剂的分子模型
- 作者：Andréia Lima de Amorim;Alan Vitor Morais de Lima;Ana Carolina de Almeida do Rosário;Érica Tailana dos Santos Souza;Jaderson Vieira Ferreira;Lorane Izabel da Silva Hage-Melim
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- Candida albicans Fructose bisphosphate Aldolase Molecular modeling Treatment;
20.Molecular docking and ADME properties of bioactive molecules against human acid-beta-glucosidase enzyme cause of Gaucher’s disease

机译：生物活性分子对人体酸性β-葡萄糖苷酶的分子对接和ADME特性导致高雪氏病
- 作者：Vijayakumar Subramaniyan;Sathiya Mathiyalagan;Arulmozhi Praveenkumar;Prabhu Srinivasan;Manogar Palani;Vinothkannan Ravichandran;Parameswari Nallasamy
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- Acid β-glucosidase Bioactive molecules Molecular docking ADME profile;
21.Computer aided drug design based on 3D-QSAR and molecular docking studies of 5-(1H-indol-5-yl)-134-thiadiazol-2-amine derivatives as PIM2 inhibitors: a proposal to chemists

机译：基于3D-QSAR的计算机辅助药物设计以及5-（1H-吲哚-5-基）-134-噻二唑-2-胺衍生物作为PIM2抑制剂的分子对接研究：向化学家提出的建议
- 作者：Adnane Aouidate;Adib Ghaleb;Mounir Ghamali;Samir Chtita;Abdellah Ousaa;M’barek Choukrad;Abdelouahid Sbai;Mohammed Bouachrine;Tahar Lakhlifi
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- CoMFA CoMSIA Molecular docking PIM2 Drug design 5-(1H-indol-5-yl)-134-thiadiazol;
22.Molecular docking and dynamics of Nickel-Schiff base complexes for inhibiting β-lactamase of Mycobacterium tuberculosis

机译：镍-席夫碱配合物抑制结核分枝杆菌β-内酰胺酶的分子对接和动力学
- 作者：Md. Junaid;Md. Jahangir Alam;Md. Kamal Hossain;Mohammad A. Halim;M. Obayed Ullah
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- Tuberculosis Anti-microbial activity Schiff base Density functional theory (DFT) Molecular dynamics ADME/T;
23.lncRNA-based study of epigenetic regulations in diabetic peripheral neuropathy

机译：基于lncRNA的糖尿病周围神经病变的表观遗传调控研究
- 作者：Muhamad Fachrul;Didik H. Utomo;Arli A. Parikesit
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- Epigenetic lncRNA In Silico Type-2 diabetes;
24.Taxifolin as dual inhibitor of Mtb DNA gyrase and isoleucyl-tRNA synthetase: in silico molecular docking dynamics simulation and in vitro assays

机译：Taxifolin作为Mtb DNA回旋酶和异亮氨酰tRNA合成酶的双重抑制剂：计算机分子对接动力学模拟和体外测定
- 作者：Charles Kozhikkadan Davis;K. Nasla;A. K. Anjana;G. K. Rajanikant
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- Tuberculosis DNA gyrase Isoleucyl-tRNA synthetase Flavonoids Taxifolin Dual inhibitor;
25.High throughput screening against pantothenate synthetase identifies amide inhibitors against Mycobacterium tuberculosis and Staphylococcus aureus

机译：针对泛酸合成酶的高通量筛选可鉴定针对结核分枝杆菌和金黄色葡萄球菌的酰胺抑制剂
- 作者：Sayantan Pradhan;Chittaranjan Sinha
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- Pantothenate synthetase inhibitors Heterocyclic amide compounds Structure based drug design Molecular docking ADMET MD simulation;
26.Frangulosid as a novel hepatitis B virus DNA polymerase inhibitor: a virtual screening study

机译：Frangulosid作为一种新型的乙型肝炎病毒DNA聚合酶抑制剂：一项虚拟筛选研究
- 作者：Mokhtar Nosrati;Zahra Shakeran;Zainab Shakeran
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- Hepatitis B virus Medical plant In silico analysis Molecular docking;
27.Identification of potential drug targets and inhibitor of the pathogenic bacteria Shigella flexneri 2a through the subtractive genomic approach

机译：通过消减基因组学方法鉴定潜在的药物靶标和致病菌弗氏志贺氏菌2a的抑制剂
- 作者：Arafat Rahman Oany;Mamun Mia;Tahmina Pervin;Md. Nazmul Hasan;Akinori Hirashima
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- ADMET Molecular docking ASD MDR Dysentery;
28.Design of novel amyloid β aggregation inhibitors using QSAR pharmacophore modeling molecular docking and ADME prediction

机译：使用QSAR药效团建模分子对接和ADME预测设计新型淀粉样β聚集抑制剂
- 作者：Lilly Aswathy;Radhakrishnan S. Jisha;Vijay H. Masand;Jayant M. Gajbhiye;Indira G. Shibi
- 期刊名称：《In Silico Pharmacology》 | 2018年第1期
- Alzheimer’s disease Curcuma longa 2D-QSAR 3D-QSAR Molecular docking;
29.Classification model of amino acid sequences prone to aggregation of therapeutic proteins

机译：易于聚集治疗性蛋白质的氨基酸序列分类模型
- 作者：Monika Marczak;Krystyna Okoniewska;Tomasz Grabowski
- 期刊名称：《In Silico Pharmacology》 | 2016年第-1期
- In silico ADA Aggregates Proteins Immunogenicity;
30.In silico proposition to predict cluster of B- and T-cell epitopes for the usefulness of vaccine design from invasive virulent and membrane associated proteins of C. jejuni

机译：在计算机上通过空肠弯曲杆菌的侵入性毒性和膜相关蛋白预测B细胞和T细胞表位簇对疫苗设计的实用性
- 作者：Tahirah Yasmin;Salma Akter;Mouly Debnath;Akio Ebihara;Tsutomu Nakagawa;A. H. M. Nurun Nabi
- 期刊名称：《In Silico Pharmacology》 | 2016年第-1期
- Epitopes Campylobacter jejuni Vaccine MHC Class I MHC Class II T-cell epitopes B-cell epitopes Guillain Barré syndrome;
31.A momentary biomarker for depressive mood

机译：短暂的情绪低落生物标志物
- 作者：Jinhyuk Kim;Toru Nakamura;Yoshiharu Yamamoto
- 期刊名称：《In Silico Pharmacology》 | 2016年第-1期
- Physical activity Depressive mood Major depressive disorders Ecological momentary assessment Psychobehavioral biomarker;
32.Population physiologically-based pharmacokinetic model incorporating lymphatic uptake for a subcutaneously administered pegylated peptide

机译：皮下注射聚乙二醇化肽的基于淋巴摄取的基于群体生理学的药代动力学模型
- 作者：Elliot Offman;Colin Phipps;Andrea N. Edginton
- 期刊名称：《In Silico Pharmacology》 | 2016年第-1期
- Physiologically-based pharmacokinetic model Subcutaneous Peptide Pegylated Lymph;
33.Functioning of drug-metabolizing microsomal cytochrome P450s: In silico probing of proteins suggests that the distal heme ‘active site’ pocket plays a relatively ‘passive role’ in some enzyme-substrate interactions

机译：药物代谢微粒体细胞色素P450的功能：对蛋白质的计算机分析表明远端血红素活性部位口袋在某些酶-底物相互作用中起相对被动的作用
- 作者：Avanthika Venkatachalam;Abhinav Parashar;Kelath Murali Manoj
- 期刊名称：《In Silico Pharmacology》 | 2016年第-1期
- Cytochrome P450 Heme-enzymes Mechanism Substrate binding;
34.Determining optimal diagnostic criteria through chronicity and comorbidity

机译：通过慢性和合并症确定最佳诊断标准
- 作者：Douglas Steinley;Sean P. Lane;Kenneth J. Sher
- 期刊名称：《In Silico Pharmacology》 | 2016年第-1期
- Alcohol use disorder Chronicity Comorbidity DSM Optimization;
35.Molecular docking studies on InhA MabA and PanK enzymes from Mycobacterium tuberculosis of ellagic acid derivatives from Ludwigia adscendens and Trewia nudiflora

机译：结核分枝杆菌和假山T的鞣花酸衍生物的结核分支杆菌InhAMabA和PanK酶的分子对接研究
- 作者：Jamil A. Shilpi;Mohammad Tuhin Ali;Sanjib Saha;Shihab Hasan;Alexander I. Gray;Véronique Seidel
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
- Mycobacterium tuberculosis Ellagic acid derivatives 2-trans-enoyl-ACP reductase (InhA) β-ketoacyl-ACP reductase (MabA) Pantothenate kinase (PanK) Ludwigia adscendens Trewia nudiflora;
36.In vitro cytotoxic and in silico activity of piperine isolated from Piper nigrum fruits Linn

机译：黑胡椒果实亚麻中胡椒碱的体外细胞毒性和计算机活性
- 作者：Padmaa M. Paarakh;Dileep Chandra Sreeram;Shruthi S. D;Sujan P. S. Ganapathy
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
- In vitro cytotoxic activity In silico docking studies Isolation Piperine Piper nigrum;
37.Computational modeling to predict the functions and impact of drug transporters

机译：计算模型可预测药物转运蛋白的功能和影响
- 作者：Pär Matsson;Christel A S Bergström
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
- Drug transport Membrane transporter Carrier-mediated transport Structure-activity relationship Ligand-based modeling Structure-based modeling;
38.Highly conserved regions in Ebola virus RNA dependent RNA polymerase may be act as a universal novel peptide vaccine target: a computational approach

机译：埃博拉病毒RNA依赖性RNA聚合酶中高度保守的区域可作为通用新型肽疫苗靶标：一种计算方法
- 作者：Arafat Rahman Oany;Tahmina Sharmin;Afrin Sultana Chowdhury;Tahmina Pervin Jyoti;Md. Anayet Hasan
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
- Ebola Computational approach RNA polymerase Epitope Vaccine;
39.Use of in-silico assays to characterize the ADMET profile and identify potential therapeutic targets of fusarochromanone a novel anti-cancer agent

机译：使用计算机内分析来表征ADMET谱并鉴定新的抗癌药富沙铬烷酮的潜在治疗靶标
- 作者：Madison Wynne El-Saadi;Tara Williams-Hart;Brian A Salvatore;Elahe Mahdavian
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
- ADMET In-silico fishing Apoptosis pathway Molecular docking Drug design Drug optimization Pharmacokinetic;
40.Permeation thresholds for hydrophilic small biomolecules across microvascular and epithelial barriers are predictable on basis of conserved biophysical properties

机译：亲水性小生物分子穿过微血管和上皮屏障的渗透阈值可根据保守的生物物理特性进行预测
- 作者：Hemant Sarin
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
- Octanol-to-water partition coefficient Molecular size Cationic biomolecule Anionic biomolecule Cationoneutral biomolecule Polyneutral biomolecule Molecular charge Cations Anions Molecular toxicology;
41.A molecular docking study of phytochemical estrogen mimics from dietary herbal supplements

机译：膳食中草药补充剂对植物化学雌激素的分子对接研究
- 作者：Chelsea N Powers;William N Setzer
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
- Molecular docking Estrogen receptor Herbal supplements;
42.High throughput molecular dynamics for drug discovery

机译：用于药物开发的高通量分子动力学
- 作者：Nathaniel Stanley;Gianni De Fabritiis
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
- High-throughput molecular dynamics Markov state models GPU Drug discovery Fragments;
43.Erratum to: Characterizing plasma albumin concentration changes in TB/HIV patients on anti retroviral and anti –tuberculosis therapy

机译：勘误：通过抗逆转录病毒和抗结核治疗表征结核病/艾滋病患者的血浆白蛋白浓度变化
- 作者：Kuteesa R Bisaso;Joel S Owen;Francis W Ojara;Proscovia M Namuwenge;Apollo Mugisha;Lawrence Mbuagbaw;Livingstone S Luboobi;Jackson K Mukonzo
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
44.New regulations for animal research – a chance to shine for in silico approaches

机译：动物研究的新规定–有机会的方法大放异彩
- 作者：Hamid R Noori;Rainer Spanagel
- 期刊名称：《In Silico Pharmacology》 | 2015年第-1期
45.Molecular dynamics simulations: from structure function relationships to drug discovery

机译：分子动力学模拟：从结构功能关系到药物发现
- 作者：Pramod C Nair;John O Miners
- 期刊名称：《In Silico Pharmacology》 | 2014年第-1期
- Molecular dynamics simulations Cytochrome P450 Drug-drug interactions Genetic polymorphism Drug design Allosteric binding sites Cryptic binding sites;
46.Characterizing plasma albumin concentration changes in TB/HIV patients on anti retroviral and anti –tuberculosis therapy

机译：表征抗逆转录病毒和抗结核疗法对结核病/艾滋病患者的血浆白蛋白浓度变化
- 作者：Kuteesa R Bisaso;Joel S Owen;Francis W Ojara;Proscovia M Namuwenge;Apollo Mugisha;Lawrence Mbuagbaw;Livingstone S Luboobi;Jackson K Mukonzo
- 期刊名称：《In Silico Pharmacology》 | 2014年第-1期
- NONMEM Disease progression modeling Semi-mechanistic model Mathematical model Albumin Tuberculosis HIV Anti Retroviral therapy Efavirenz Rifampicin;
47.In silico evaluation of gadofosveset pharmacokinetics in different population groups using the Simcyp® simulator platform

机译：使用Simcyp®模拟器平台进行计算机模拟评估不同人群中的gadofosveset药代动力学
- 作者：Marios Spanakis;Kostas Marias
- 期刊名称：《In Silico Pharmacology》 | 2014年第-1期
- Gadofosveset Gadolinium-based contrast agents PBPK Simcyp DCE-MRI Medical imaging Pharmacokinetics;
48.Mathematical analysis of the sodium sensitivity of the human histamine H3 receptor

机译：人组胺H3受体钠敏感性的数学分析
- 作者：Hans-Joachim Wittmann;Roland Seifert;Andrea Strasser
- 期刊名称：《In Silico Pharmacology》 | 2014年第-1期
- Histamine H3 receptor Nasup+/sup-sensitivity Mathematical model Molecular dynamics;
49.High end GPCR design: crafted ligand design and druggability analysis using protein structure lipophilic hotspots and explicit water networks

机译：高端GPCR设计：利用蛋白质结构亲脂性热点和明确的水网络进行精心设计的配体设计和可药性分析
- 作者：Jonathan S Mason;Andrea Bortolato;Dahlia R Weiss;Francesca Deflorian;Benjamin Tehan;Fiona H Marshall
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- GPCR StaR GRID WaterMap WaterFLAP metadynamics A2A;
50.Implementing the Best Template Searching tool into Adenosiland platform

机译：在Adenosiland平台中实施最佳模板搜索工具
- 作者：Matteo Floris;Davide Sabbadin;Antonella Ciancetta;Ricardo Medda;Alberto Cuzzolin;Stefano Moro
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- G protein-coupled receptors Adenosine receptors Receptor modelling Bioinformatics platform Adenosiland;
51.The Camerino symposium series (1978–2013): a privileged observatory of receptorology development

机译：卡梅里诺研讨会系列（1978年至2013年）：受体学发展的特权观测站
- 作者：Mario Giannella;Piero Angeli
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- G Protein-Coupled Receptor (GPCR) Camerino symposium Receptorology Mutagenesis Chimeric receptor Orphan receptor;
52.Simulation and comparative analysis of binding modes of nucleoside and non-nucleoside agonists at the A2B adenosine receptor

机译：模拟和比较分析A2B腺苷受体上核苷和非核苷激动剂的结合方式
- 作者：Diego Dal Ben;Michela Buccioni;Catia Lambertucci;Ajiroghene Thomas;Rosaria Volpini
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Purinergic receptors Adenosine receptors Adenosine receptor agonists Nucleosides Purine derivatives Pyridine derivatives Molecular modelling Homology modelling Molecular docking;
53.G protein-coupled receptors: computer-aided ligand discovery and computational structural analyses in the 2010s

机译：G蛋白偶联受体：2010年代计算机辅助配体的发现和计算结构分析
- 作者：Stefano Costanzi
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- G protein-coupled receptors GPCRs Camerino symposium Water molecules Homology modeling Molecular docking Graph theory;
54.Crystal structures of the A2A adenosine receptor and their use in medicinal chemistry

机译：A2A腺苷受体的晶体结构及其在药物化学中的应用
- 作者：Kenneth A Jacobson
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- G protein-coupled receptors Adenosine receptors Crystal structures Modeling Computer-aided drug discovery;
55.Computational neuroscience in research for depression

机译：抑郁症研究中的计算神经科学
- 作者：Georg Juckel
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Depression Computational neuroscience Serotonin Mathematical modeling;
56.Convergent functional genomics in addiction research - a translational approach to study candidate genes and gene networks

机译：成瘾研究中的融合功能基因组学-研究候选基因和基因网络的转化方法
- 作者：Rainer Spanagel
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Substance use disorders Alcohol addiction Behavioral addictions Endophenotypes QTL analysis Transcriptomic analysis GWAS Transgenic animal models;
57.Drug-target and disease networks: polypharmacology in the post-genomic era

机译：药物靶点和疾病网络：后基因组时代的多元药理学
- 作者：Ali Masoudi-Nejad;Zaynab Mousavian;Joseph H Bozorgmehr
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
58.Graph analysis of β2 adrenergic receptor structures: a social network of GPCR residues

机译：β2肾上腺素能受体结构的图形分析：GPCR残基的社交网络
- 作者：Samuel Sheftel;Kathryn E Muratore;Michael Black;Stefano Costanzi
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- G protein-coupled receptor (GPCR) β2 adrenergic receptor (β2 AR) Graph theory Networks Closeness-centrality Non-covalent interactions;
59.Comparison of gene expression profiles in the blood hippocampus and prefrontal cortex of rats

机译：大鼠血液海马和前额叶皮层基因表达谱的比较
- 作者：Stephanie H Witt;Wolfgang H Sommer;Anita C Hansson;Carsten Sticht;Marcella Rietschel;Christian C Witt
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Gene expression Brain Blood Comparison Rat;
60.Quantitative InSilico analysis of transient metabolism of acetaminophen and associatedcauses of hepatotoxicity in humans

机译：定量输入对乙酰氨基酚及其相关物质瞬时代谢的硅胶分析造成人类肝毒性的原因
- 作者：Ali Navid;David M Ng;Benjamin J Stewart;Sergio E Wong;Felice C Lightstone
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Pharmacokinetic modeling PBPK Acetaminophen Acute liver failure ADMET Alcohol Malnutrition;
61.New measurement criteria for studying alcohol drinking and relapse in rodents

机译：研究啮齿动物饮酒和复发的新测量标准
- 作者：Lilian Villarín Pildaín;Valentina Vengeliene;Franziska Matthäus
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Alcohol deprivation effect Relapse Drinking patterns Animal model of addiction Four-bottle paradigm;
62.In silico drug metabolism and pharmacokinetic profiles of natural products from medicinal plants in the Congo basin

机译：刚果盆地药用植物天然产物的计算机模拟药物代谢和药代动力学
- 作者：Fidele Ntie-Kang;Lydia L Lifongo;James A Mbah;Luc C Owono Owono;Eugene Megnassan;Luc Meva’a Mbaze;Philip N Judson;Wolfgang Sippl;Simon M N Efange
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- ADMET Drug discovery Descriptors In silico Medicinal plants Natural products;
63.Inhibition of VEGF: a novel mechanism to control angiogenesis by Withania somnifera’s key metabolite Withaferin A

机译：抑制VEGF：Withania Smnifera的关键代谢物Withaferin A控制血管新生的新机制
- 作者：Sanjib Saha;Md Khirul Islam;Jamil A Shilpi;Shihab Hasan
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Angiogenesis VEGF Withaferin A Withania somnifera Bevacizumab DockingServer SwissDock Chimera;
64.A framework incorporating the impact of exposure scenarios and application conditions on risk assessment of chemicals applied to skin

机译：一个框架其中包括暴露场景和应用条件对皮肤化学药品风险评估的影响
- 作者：Yuri Dancik;John A Troutman;Joanna Jaworska
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Forward and reverse dosimetry Dermal exposure Skin penetration kinetics PBPK;
65.The Simcyp Population Based Simulator: Architecture Implementation and Quality Assurance

机译：基于Simcyp人口的模拟器：体系结构实现和质量保证
- 作者：Masoud Jamei;Steve Marciniak;Duncan Edwards;Kris Wragg;Kairui Feng;Adrian Barnett;Amin Rostami-Hodjegan
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- ADME Pharmacokinetics Pharmacodynamics Physiologically-based pharmacokinetic Simcyp Model based drug development;
66.Modeling bioavailability to organs protected by biological barriers

机译：模拟受生物屏障保护的器官的生物利用度
- 作者：Nadia Quignot
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Bioavailability Biological barriers Computational model PBPK modeling Pharmacokinetics;
67.Ethanol-induced alterations of amino acids measured by in vivo microdialysis in rats: a meta-analysis

机译：乙醇通过大鼠体内微透析测定的氨基酸改变：一项荟萃分析
- 作者：Sarah Fliegel;Ines Brand;Rainer Spanagel;Hamid R Noori
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Microdialysis Glutamate GABA Meta-analysis Rat brain Ethanol administration Alcohol withdrawal;
68.Using Bayesian-PBPK modeling for assessment of inter-individual variability and subgroup stratification

机译：使用贝叶斯-PBPK模型评估个体之间的变异性和亚组分层
- 作者：Markus Krauss;Rolf Burghaus;Jörg Lippert;Mikko Niemi;Pertti Neuvonen;Andreas Schuppert;Stefan Willmann;Lars Kuepfer;Linus Görlitz
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Physiologically-based pharmacokinetic modeling Bayesian approaches Markov chain Monte Carlo Inter-individual variability OATP1B1 Drug development Pravastatin;
69.Computational pharmacokinetics at a crossroads

机译：处于十字路口的计算药代动力学
- 作者：Frédéric Y Bois
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Pharmacokinetics Modeling Editorial;
70.Use of a physiologically-based pharmacokinetic model to simulate artemether dose adjustment for overcoming the drug-drug interaction with efavirenz

机译：基于生理学的药代动力学模型模拟蒿甲醚剂量调整以克服依非韦伦的药物相互作用
- 作者：Marco Siccardi;Adeniyi Olagunju;Kay Seden;Farid Ebrahimjee;Steve Rannard;David Back;Andrew Owen
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Artemether IVIVE Efavirenz Drug interaction Pharmacokinetics Simulation;
71.In silico pharmacology: drug design and discovery’s gate to the future

机译：计算机硅药理学：药物设计和发现通往未来的大门
- 作者：Hamid R Noori;Rainer Spanagel
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
72.Hybrid phenylthiazole and 135-triazine target cytosolic leucyl-tRNA synthetase for antifungal action as revealed by molecular docking studies

机译：分子对接研究揭示了杂化苯基噻唑和135-三嗪靶向胞质亮氨酰tRNA合成酶的抗真菌作用
- 作者：Udaya Pratap Singh;Hans Raj Bhat;Prashant Gahtori;Ramendra K Singh
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Leucyl-tRNA synthetase Docking phenylthiazole 135-triazine;
73.Agonist and antagonist binding to the nuclear vitamin D receptor: dynamics mutation effects and functional implications

机译：激动剂和拮抗剂与核维生素D受体的结合：动力学突变效应和功能含义
- 作者：Sepideh Yaghmaei;Christopher Roberts;Rizi Ai;Mathew T Mizwicki;Chia-en A Chang
- 期刊名称：《In Silico Pharmacology》 | 2013年第-1期
- Nuclear vitamin D receptor Vitamin D3 1α25(OH)2-vitamin D3 Antagonist Molecular dynamics Helix 12 Conformational ensemble;
74.Synthesis and biological activity of 4-amino-3-chloro-1H-pyrrole-25-diones

机译：4-氨基-3-氯-1H-吡咯-25-二酮的合成及生物活性
- 作者：Halyna M. Kuznietsova;Vasyl V. Hurmach;Andriy V. Bychko;Olena I. Tykhoniuk;Demyd S. Milokhov;Olga V. Khilya;Yulian M. Volovenko;Volodymyr K. Rybalchenko
- 期刊名称：《In Silico Pharmacology》 | 2019年第1期
- 4-Amino-3-chloro-1;
75.Computational insight to putative anti-acetylcholinesterase activity of Commiphora myrrha (Nees) Engler Burseraceae: a lessen of archaeopharmacology from Mesopotamian Medicine I

机译：计算的见解认为没药（Commesphora myrrhaNees）Burseraceae的抗乙酰胆碱酯酶活性：美索不达米亚医学I的考古药理学
- 作者：Baydaa Abed Hussein;Isaac Karimi;Namdar Yousofvand
- 期刊名称：《In Silico Pharmacology》 | 2019年第1期
- Myrrh;
- Acetylcholinesterase;
- Nootropics;
- Insecticides;
- Terpenes;
- Sesquiterpenes;
- Cuscohygrine;
76.Quantum chemical calculation and binding modes of H1R; a combined study of molecular docking and DFT for suggesting therapeutically potent H1R antagonist

机译：H1R的量子化学计算和结合方式；分子对接和DFT的联合研究提示治疗有效的H1R拮抗剂
- 作者：Yasir Mohamed Riza;Md. Rimon Parves;Fahmida Alam Tithi;Sanjida Alam
- 期刊名称：《In Silico Pharmacology》 | 2019年第1期
- H1R antagonists;
- Binding site characterization;
- QM/MM;
- Density functional theory;
- Induced fit docking;
- MM-GBSA;
77.Are losartan and imatinib effective against SARS-CoV2 pathogenesis? A pathophysiologic-based in silico study

机译：洛沙坦和伊马替尼是否有效针对SARS-COV2发病机制？一种基于硅研究的病理生理学
- 作者：Reza Nejat;Ahmad Shahir Sadr
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- SARS-CoV2;
- Losartan;
- Imatinib;
- Cytokine storm;
- Papain-like protease;
- Main protease;
78.Designing a conserved peptide-based subunit vaccine against SARS-CoV-2 using immunoinformatics approach

机译：利用免疫信息学方法设计针对SARS-COV-2的保守肽的亚基疫苗
- 作者：Elijah Kolawole Oladipo;Ayodeji Folorunsho Ajayi;Olugbenga Samson Onile;Olumuyiwa Elijah Ariyo;Esther Moradeyo Jimah;Louis Odinakaose Ezediuno;Oluwadunsin Iyanuoluwa Adebayo;Emmanuel Tayo Adebayo;Aduragbemi Noah Odeyemi;Marvellous Oluwaseun Oyeleke;Moyosoluwa Precious Oyewole;Ayomide Samuel Oguntomi;Olawumi Elizabeth Akindiya;Victoria Oyetayo Aremu;Dorcas Olubunmi Aboderin;Julius Kola Oloke
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- SARsCoV-2;
79.In silico investigation of saponins and tannins as potential inhibitors of SARS-CoV-2 main protease (M

机译：在SAPONINS和单宁的SARICO调查中作为SARS-COV-2主要蛋白酶的潜在抑制剂（m
- 作者：Victoria Adeola Falade;Temitope Isaac Adelusi;Ibrahim Olaide Adedotun;Misbaudeen Abdul-Hammed;Teslim Alabi Lawal;Saheed Alabi Agboluaje
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- Molecular docking;
- Saponins;
- Tannins;
- Pharmacokinetics;
- Drug-likeness;
- SARS-CoV-2 (M;
80.Evaluation of certain medicinal plants compounds as new potential inhibitors of novel corona virus (COVID-19) using molecular docking analysis

机译：使用分子对接分析评估某些药用植物化合物作为新型电晕病毒（Covid-19）的新潜在抑制剂
- 作者：Ayat Ahmed Alrasheid;Mazin Yousif Babiker;Talal Ahmed Awad
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- COVID-19;
- Anti-viral;
- Medicinal plants;
- Docking study;
- Sudan;
81.Molecular characterization and epitope-based vaccine predictions for

机译：分子表征和基于表位的疫苗预测
- 作者：Deepthi Sogasu;A. S. Smiline Girija;Shoba Gunasekaran;J. Vijayashree Priyadharsini
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- A. baumannii;
82.Vaccinomics approach for scheming potential epitope-based peptide vaccine by targeting

机译：通过靶向靶向潜在表位肽疫苗的疫苗组合方法
- 作者：Tahmina Pervin;Arafat Rahman Oany
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- Vaccinomics;
- HLA;
- Hemorrhagic fever;
- Allergenicity;
- Molecular docking;
83.In search of drugs to alleviate suppression of the hosts innate immune responses against SARS-CoV-2 using a molecular modeling approach

机译：为了使用分子建模方法寻找药物以缓解对针对SARS-COV-2的宿主的先天免疫应答的抑制
- 作者：Shuvasish Choudhury;Debojyoti Moulick;Anupom Borah;Purbajyoti Saikia;Muhammed Khairujjaman Mazumder
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- COVID-19;
- Drug repurposing;
- MERS-CoV;
- Molecular docking;
- Papain-like protease;
84.Computational screening of FDA approved drugs of fungal origin that may interfere with SARS-CoV-2 spike protein activation viral RNA replication and post‐translational modification: a multiple target approach

机译：FDA的计算筛查批准的真菌源性药物可能干扰SARS-COV-2穗蛋白激活病毒RNA复制和翻译后修饰：多目标方法
- 作者：Rajveer Singh;Anupam Gautam;Shivani Chandel;Vipul Sharma;Arijit Ghosh;Dhritiman Dey;Syamal Roy;V. Ravichandiran;Dipanjan Ghosh
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- Drug repurposing;
- FDA approved drugs;
- COVID-19;
- Molecular docking;
- And molecular simulation;
85.In silico and in vitro screening of licensed antimalarial drugs for repurposing as inhibitors of hepatitis E virus

机译：在Silico和体外筛查许可的抗疟药药物中用于重新抑制乙型肝炎病毒的抑制剂
- 作者：Borris Rosnay Tietcheu Galani;Vincent Brice Ayissi Owona;Romeo Joel Guemmogne Temdie;Karoline Metzger;Marie Atsama Amougou;Pascal Dieudonné Djamen Chuisseu;Arnaud Fondjo Kouam;Marceline Ngounoue Djuidje;Cécile-Marie Aliouat-Denis;Laurence Cocquerel;Paul Fewou Moundipa
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- Hepatitis E;
- HEV;
- Virtual screening;
- In vitro screening;
- Antimalarial drugs;
86.In silico design of a multi-epitope peptide construct as a potential vaccine candidate for Influenza A based on neuraminidase protein

机译：在基于神经氨酸酶蛋白的多表位肽构建体作为流感A A的潜在疫苗候选的硅设计
- 作者：Mandana Behbahani;Mohammad Moradi;Hassan Mohabatkar
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
- In silico;
- Immunoinformatics;
- Multi-epitope vaccine;
- Influenza;
- Neuraminidase;
87.Structural modification of aspirin to design a new potential cyclooxygenase (COX-2) inhibitors

机译：阿司匹林设计新潜在环氧氧酶（COX-2）抑制剂的结构改性
- 作者：Monir Uzzaman;Tareq Mahmud
- 期刊名称：《In Silico Pharmacology》 | 2020年第1期
88.Peptide modelling and screening against human ACE2 and spike glycoprotein RBD of SARS-CoV-2

机译：肽建模和筛选人ACE2和SARS-COV-2的穗糖蛋白RBD
- 作者：Shravan B. Rathod;Pravin B. Prajapati;Lata B. Punjabi;Kuntal N. Prajapati;Neha Chauhan;Mohmedyasin F. Mansuri
- 期刊名称：《In Silico Pharmacology》 | 2020年第1期
89.Prediction and identification of T cell epitopes of COVID-19 with balanced cytokine response for the development of peptide based vaccines

机译：Covid-19具有平衡细胞因子响应对肽基疫苗开发的平衡细胞因子的预测与鉴定
- 作者：Medha;Parul Bhatt;Priyanka;Monika Sharma;Sadhna Sharma
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
90.In silico analysis of echinocandins binding to the main proteases of coronaviruses PEDV (3CLpro) and SARS-CoV-2 (Mpro)

机译：在二氧化硅分析的基础上分析冠状腺炎患者的主要蛋白酶Pedv（3Clpro）和SARS-COV-2（MPRO）
- 作者：Gérard Vergoten;Christian Bailly
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
91.Computational assessment of select antiviral phytochemicals as potential SARS-Cov-2 main protease inhibitors: molecular dynamics guided ensemble docking and extended molecular dynamics

机译：选择抗病毒植物化学品的计算评估作为潜在的SARS-COV-2主要蛋白酶抑制剂：分子动力学引导合奏对接和扩展分子动力学
- 作者：Sanjay Sawant;Rajesh Patil;Manoj Khawate;Vishal Zambre;Vaibhav Shilimkar;Suresh Jagtap
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
92.In silico studies of Potency and safety assessment of selected trial drugs for the treatment of COVID-19

机译：在硅硅研究中的效力和安全评估中的效力和安全评估用于治疗Covid-19
- 作者：Peter Ifeoluwa Adegbola;Olumide Samuel Fadahunsi;Aanuoluwa Eunice Adegbola;Banjo Semire
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
93.In-silico study of peptide-protein interaction of antimicrobial peptides potentially targeting SARS and SARS-CoV-2 nucleocapsid protein

机译：硅肽肽蛋白质肽蛋白质相互作用潜在靶向SARS和SARS-COV-2核衣壳蛋白的肽 - 蛋白质相互研究
- 作者：Ritu Bansal;Sanika Mohagaonkar;Anamitra Sen;Uzma Khanam;Bhawna Rathi
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期
94.Identification of lead compounds from large natural product library targeting 3C-like protease of SARS-CoV-2 using E-pharmacophore modelling QSAR and molecular dynamics simulation

机译：使用E-药物模拟QSAR和分子动力学模拟鉴定来自大型天然产物文库的铅化合物靶向SAR-COV-2的3C样蛋白酶
- 作者：Olusola Olalekan Elekofehinti;Opeyemi Iwaloye;Olorunfemi R. Molehin;Courage D. Famusiwa
- 期刊名称：《In Silico Pharmacology》 | 2021年第1期