In silico Molecular Docking Approach to Identify Potential Antihypertensive Compounds from Ajuga integrifolia Buch.-Ham. Ex D. Don (Armagusa) [0.03%]
Ajuga integrifolia Buch.-Ham. Ex D. Don (Armagusa) 中潜在抗高血压化合物的计算机模拟分子对接方法识别
Fekade Beshah Tessema,Yilma Hunde Gonfa,Tilahun Belayneh Asfaw et al.
Fekade Beshah Tessema et al.
Background: Ajuga integrifolia (Armagusa) is used as a decoction to treat high blood pressure and diabetes, widely in Ethiopia. Specific compounds for anti-hypertension activity were not identified so far. This study aims...
Pyrazoline B-Paclitaxel or Doxorubicin Combination Drugs Show Synergistic Activity Against Cancer Cells: In silico Study [0.03%]
吡唑啉B-紫杉醇或阿霉素复方药物对癌细胞显示出协同作用：基于计算机的研究
Hesti Lina Wiraswati,Muhammad Hasan Bashari,Nayla Majeda Alfarafisa et al.
Hesti Lina Wiraswati et al.
Background: Multidrug resistance in various cancer types is a major obstacle in cancer treatment. The concept of a single drug molecular target often causes treatment failure due to the complexity of the cellular processe...
Unraveling Potential Glyoxalase-I Inhibitors Utilizing Structure-Based Drug Design Techniques [0.03%]
基于结构的药物设计技术在甘 oxalase-I抑制剂中的潜在应用研究
Mohammad H Fetian,Qosay A Al-Balas
Mohammad H Fetian
Background: Glyoxalase system detoxifies methylglyoxal and other ketoaldehydes to produce innocuous metabolites that allow the cells to function normally. Its inhibition in cancer cells causes these toxic metabolites to a...
Elucidation of Molecular Interactions Between Drug-Polymer in Amorphous Solid Dispersion by a Computational Approach Using Molecular Dynamics Simulations [0.03%]
分子动力学模拟在计算方法中对固体分散体中药物-聚合物间分子相互作用的阐明
Diah Lia Aulifa,Adnan Aly Al Shofwan,Sandra Megantara et al.
Diah Lia Aulifa et al.
Introduction: Amorphous drug dispersion is frequently used to enhance the solubility and dissolution of poorly water-soluble drugs, thereby improving their oral bioavailability. The dispersion of these drugs into polymer ...
Synthesis, Biological Evaluation and Molecular Docking Studies of Novel Series of Bis-1,2,4-Triazoles as Thymidine Phosphorylase Inhibitor [0.03%]
一类新型双三唑衍生物的合成、活性评价及分子对接研究
Nataliya Korol,Oksana M Holovko-Kamoshenkova,Mikhailo Slivka et al.
Nataliya Korol et al.
Introduction: Heterocyclic compounds have diverse biological activities and potential in drug development. This study aims to synthesize novel compounds with two 1,2,4-triazole cores and evaluate their biological properti...
Ultrasonic-Assisted Synthesis of Heterocyclic Curcumin Analogs as Antidiabetic, Antibacterial, and Antioxidant Agents Combined with in vitro and in silico Studies [0.03%]
结合体外和离体研究的超声辅助合成杂环类姜黄素类似物作为抗糖尿病，抗菌和抗氧化剂的研究
Demis Zelelew,Milkyas Endale,Yadessa Melaku et al.
Demis Zelelew et al.
Background: Heterocyclic analogs of curcumin have a wide range of therapeutic potential and the ability to control the activity of a variety of metabolic enzymes. ...
Facing Antitubercular Resistance: Identification of Potential Direct Inhibitors Targeting InhA Enzyme and Generation of 3D-pharmacophore Model by in silico Approach [0.03%]
面临抗结核病药物耐药性问题：通过计算方法鉴定潜在的直接抑制 inhA 酶的化合物及生成三维药效模型
Ghyzlane El Haddoumi,Mariam Mansouri,Houda Bendani et al.
Ghyzlane El Haddoumi et al.
Purpose: The enoyl-acyl carrier protein reductase (InhA) is one of the important key enzymes employed in mycolic acids biosynthesis pathway and an important component of mycobacterial cell walls. This enzyme has also been...
In silico Study of Antiviral Activity of Polyphenol Compounds from Ocimum basilicum by Molecular Docking, ADMET, and Drug-Likeness Analysis [0.03%]
基于分子对接、ADMET及类药性分析的胡椒基薄荷素化合物体外抗病毒活性的计算机虚拟筛选研究
Dikdik Kurnia,Salsabila Aqila Putri,Sefren Geiner Tumilaar et al.
Dikdik Kurnia et al.
Aim: The SARS-CoV-2 virus is a disease that has mild to severe effects on patients, which can even lead to death. One of the enzymes that act as DNA replication is the main protease, which becomes the main target in the i...
Computational Study of Bis-(1-(Benzoyl)-3-Methyl Thiourea) Platinum (II) Complex Derivatives as Anticancer Candidates [0.03%]
二铂(II)配合物衍生物作为抗肿瘤药物候选物的计算研究
Ruswanto Ruswanto,Richa Mardianingrum,Tita Nofianti et al.
Ruswanto Ruswanto et al.
Background: The increasing incidence of cancer every year has resulted in cancer becoming one of the most common causes of death in the world. The most common types of cancer are breast cancer, lung cancer and prostate ca...
In silico Screening of Potential SARS-CoV-2 Main Protease Inhibitors from Thymus schimperi [0.03%]
从Thymus schimperi中筛选SARS-CoV-2主要蛋白酶抑制剂的计算机虚拟研究
Hylemariam Mihiretie Mengist,Zunera Khalid,Fentahun Adane
Hylemariam Mihiretie Mengist
Background: COVID-19 is still instigating significant social and economic chaos worldwide; however, there is no approved antiviral drug yet. Here, we used in silico analysis to screen potential SARS-CoV-2 main protease (M...