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1 Mechanistic insight into the cholinergic, muscarinic and antagonistic effects of Khat (Catha edulis) on native nicotinic acetylcholine receptors    Abstract | Fulltext
2 Exploring the mechanism of action of Tripterygium wilfordii Hook F in the treatment of rheumatoid arthritis based on network pharmacology and molecular docking    Abstract | Fulltext
3 Network pharmacology and molecular docking studies on the mechanism of action of moist exposed burn ointment for treatment of diabetic foot ulcer    Abstract | Fulltext
4 Investigating the underlying mechanisms of Wuling powder in the management of hyperuricemia based on network pharmacology and molecular docking    Abstract | Fulltext
5 Promising reduction of de novo resistance to endocrine therapies in breast cancer by small molecules from natural origin: A structural approach    Abstract | Fulltext
6 Molecular docking, ADMET, molecular dynamic simulation, synthesis, and preliminary antiproliferative study of 1,2,4-thiadiazole derivatives as possible histone deacetylase inhibitors    Abstract | Fulltext
7 Investigation of the potential pharmacological mechanism of action of Danhong injection against chronic heart failure using a network pharmacology-based approach    Abstract | Fulltext
8 A network pharmacology-based investigation on the underlying mechanism of Huqian Wan against osteoporosis    Abstract | Fulltext
9 Network pharmacology integrated molecular docking demonstrates the therapeutic mode of Panax ginseng against ovarian cancer    Abstract | Fulltext
10 Cytotoxic and alpha amylase-inhibitory metabolites from Tagetes minuta: In vitro evaluation and docking studies    Abstract | Fulltext
11 Elucidation of the active components and molecular mechanisms of action of Xiaoyin granules (XYG) against psoriasis and its synergism with acitretin using network pharmacology and molecular docking    Abstract | Fulltext
12 Investigation of potential targets and mechanisms of action of Bailing tablets on vitiligo based on network pharmacology and molecular docking    Abstract | Fulltext
13 In silico studies-assisted design, synthesis, and discovery of biologically active isatin derivatives    Abstract | Fulltext
14 Bioinformatics and experimental validation of mechanisms underlying lenvatinib therapy for hepatocellular carcinoma    Abstract | Fulltext
15 Molecular docking and molecular dynamics simulation studies on the effect of baicalein on breast and ovarian cancers    Abstract | Fulltext
16 Identification of potential biomarkers and candidate small-molecule drugs for heart failure via comprehensive gene microarray analysis    Abstract | Fulltext
17 Systematic elucidation of the traditional Chinese medicine prescription Danxiong particles via network pharmacology and molecular docking    Abstract | Fulltext
18 Synthesis, antimalarial activity assay and molecular docking study of N-substituted chloro-pyrazolines    Abstract | Fulltext
19 Network pharmacology and GEO chip-based elucidation of mechanisms underlying the use of Yi Tieqing for prevention and treatment of postoperative nausea and vomiting    Abstract | Fulltext
20 Elucidation of mechanisms of action of Wei-Sheng-Fang-Yi-Bao-Dan in the treatment of COVID-19 and depression using network pharmacology and molecular docking    Abstract | Fulltext
21 Effects of anti-cyclooxygenases (COX-1 and COX-2), structure activity relationship, molecular docking and in silico ADMET of some synthesized chalcones    Abstract | Fulltext
22 Design and characterization of core scaffold pyrazolone fused thiazolidinone analogues as potent anticancer agents    Abstract | Fulltext
23 Anti-cancer molecular mechanism of Actinidia chinensis Planch in gastric cancer based on network pharmacology and molecular docking    Abstract | Fulltext
24 Chemical constituents of Combretum dolichopetalum: Characterization, antitrypanosomal activities and molecular docking studies    Abstract | Fulltext
25 Evaluation of antioxidant activation by potential nuclear factor (erythroid-derived 2)-like 2 (Nrf2)/Keap1 complex inhibitors    Abstract | Fulltext
26 Design, synthesis and cytotoxic evaluation of 2-amino-4-aryl-6-substituted pyridine-3,5-dicarbonitrile derivatives    Abstract | Fulltext
27 Molecular docking study on columbin isolated from Tinospora cordifolia as a cholinesterase inhibitor    Abstract | Fulltext
28 Exploring the action of new FimH inhibitors against CTX–15 enzyme by enzoinformatics approach: A plausible arsenal against drug-resistant uropathogenic bacterial strains    Abstract | Fulltext
29 Determination of the anti-polo like kinase 1 potential of novel derivatives of thiophene using oncoinformatics approach    Abstract | Fulltext
30 Investigation into the prophylactic and therapeutic activity of coenzyme Q10 against COVID-19    Abstract | Fulltext
31 Aspirin-aromatic amino acid conjugates as selective Cox-2 inhibitors: A docking study    Abstract | Fulltext
32 Molecular modelling studies and synthesis of novel quinoxaline derivatives with potential inhibitory effect on GSK-3β    Abstract | Fulltext
33 Computational design of phosphoinositide 3-kinase gamma (PI3Kg) inhibitors as a newer therapy for rheumatoid arthritis    Abstract | Fulltext
34 Mechanism of pharmacological effect of Angelica essential oil on anxiety based on network pharmacology and molecular docking    Abstract | Fulltext
35 Molecular docking and dynamic simulation study to explore quercetin as a multi-potent candidate against gliomas    Abstract | Fulltext
36 Analysis of the effect of the Chinese herbal pair, Semen Persicae–Carthami Flos, on psoriasis using network pharmacology    Abstract | Fulltext
37 Identification of key bioactive anti-migraine constituents of Asari radix et rhizoma using network pharmacology and nitroglycerin-induced migraine rat model    Abstract | Fulltext
38 Identification of the anti-COVID-19 mechanism of action of Han-Shi Blocking Lung using network pharmacology-integrated molecular docking    Abstract | Fulltext
39 Prediction of novel natural inhibitors of avian coccidia (Eimeria tenella) through molecular docking    Abstract | Fulltext
40 Molecular docking studies of natural compounds of naringin on enzymes involved in the urea cycle pathway in hyperammonemia    Abstract | Fulltext
41 Elucidation of the mechanism of action of the anti-cholecystitis effect of the Tibetan medicine “Dida” using network pharmacology    Abstract | Fulltext
42 Computational and pharmacological evaluation of stevioside derivatives for antinociceptive and anti-inflammatory potential    Abstract | Fulltext
43 In silico screening of potentially bioactive-anti-functional dyspepsia constituents of Magnoliae officinalis Cortex based on molecular docking and network pharmacology    Abstract | Fulltext
44 Elucidation of the mechanisms underlying the anti-cholecystitis effect of the Tibetan medicine, Dida, using Network pharmacology    Abstract | Fulltext
45 Involvement of TNF-alpha and IL-10 in breast cancer and patient survival    Abstract | Fulltext
46 Anti-proliferative activity of leaves of Launaea capitata Asteraceae: Phytochemical, cytotoxicity and in silico studies    Abstract | Fulltext
47 In-silico studies of HMG-Co A reductase inhibitors present in fruits of Withania coagulans Dunal (Solanaceae)    Abstract | Fulltext
48 Excisanin A suppresses proliferation by inhibiting hypoxia-inducible factor-1? expression in human hepatocellular carcinoma cells    Abstract | Fulltext
49 Substructural dynamics of the phase-I drug metabolizing enzyme, carbonyl reductase 1, in response to various substrate and inhibitor configurations    Abstract | Fulltext
50 Immunosuppressive effect of voacamine from Voacanga africana Stapf based on SPRi experiment    Abstract | Fulltext
51 In silico model and design of novel 5α-reductase inhibitors for treatment of benign prostatic hyperplasia    Abstract | Fulltext
52 In silico screening of anti-inflammatory constituents with good drug-like properties from twigs of Cinnamomum cassia based on molecular docking and network pharmacology    Abstract | Fulltext
53 Design of dual inhibitors of human TNF-α and IL-6 with potentials for the treatment of rheumatoid arthritis    Abstract | Fulltext
54 Synthesis, antimicrobial activities and GAPDH docking of novel 1, 2, 3-triazole derivatives    Abstract | Fulltext
55 Biological screening and docking studies of unique hybrids synthesized by conventional versus microwave-assisted techniques    Abstract | Fulltext
56 Inhibition of TNF-α and IL-1 by compounds from selected plants for rheumatoid arthritis therapy: In vivo and in silico studies    Abstract | Fulltext
57 Synthesis, antimicrobial evaluation and docking studies of new pyrazolone derivatives    Abstract | Fulltext
58 Structural analysis and insight into novel MMP-13 inhibitors from natural chemiome as disease-modifying osteoarthritis drugs    Abstract | Fulltext
59 In silico elucidation of potential drug target sites of the Thumb Index Fold Protein, Wnt-8b    Abstract | Fulltext
60 In silico studies on novel inhibitors of MERS-CoV: Structure-based pharmacophore modeling, database screening and molecular docking    Abstract | Fulltext
61 Investigation of the anti-aging properties of allicin from Allium sativum L bulb extracts by a reverse docking approach    Abstract | Fulltext
62 In silico design of small molecules targeting cathepsin-k for the treatment of osteoarthritis    Abstract | Fulltext
63 New N-allylthiourea derivatives: Synthesis, molecular docking and in vitro cytotoxicity studies    Abstract | Fulltext
64 Molecular docking studies on rocaglamide, a traditional Chinese medicine for periodontitis    Abstract | Fulltext
65 Synthesis, biological evaluation and molecular docking studies of Mannich bases derived from 1, 3, 4-oxadiazole-2-thiones as potential urease inhibitors    Abstract | Fulltext
66 Determination of activities of human carbonic anhydrase II inhibitors from curcumin analogs    Abstract | Fulltext
67 Antiviral evaluation of an Hsp90 inhibitor, gedunin, against dengue virus    Abstract | Fulltext
68 Synthesis and molecular docking of new hydrazones derived from ethyl isonipecotate and their biological activities    Abstract | Fulltext
69 Anti-inflammatory effects of kaempferol, myricetin, fisetin and ibuprofen in neonatal rats    Abstract | Fulltext
70 In-silico design of novel myocilin inhibitors for glaucoma therapy    Abstract | Fulltext
71 Molecular docking and in silico ADMET studies of silibinin and glycyrrhetic acid anti-inflammatory activity    Abstract | Fulltext
72 Production of a phage-displayed single chain variable fragment antibody against infectious bursal disease virus    Abstract | Fulltext
73 Pharmacological evaluation of novel dimers of an arylpropionic acid class of non-selective cyclooxygenase inhibitors    Abstract | Fulltext
74 Computer-aided discovery of antimicrobial agents as potential enoyl acyl carrier protein reductase inhibitors    Abstract | Fulltext
75 In-silico investigations into natural products as non-nucleoside DNA methyltransferase 1 inhibitors for treating epi-mutation in gastric cancer    Abstract | Fulltext
76 Design, synthesis and antiproliferative activity of hydroxyacetamide derivatives against HeLa cervical carcinoma cell and breast cancer cell line    Abstract | Fulltext
77 S-Alkylated/aralkylated 2-(1H-indol-3-yl-methyl)-1,3,4-oxadiazole-5-thiol derivatives. 2. Anti-bacterial, enzyme-inhibitory and hemolytic activities    Abstract | Fulltext
78 A holistic in silico approach to develop novel inhibitors targeting ErbB1 and ErbB2 kinases    Abstract | Fulltext
79 Synthesis, characterization, antimicrobial activity and molecular docking studies of combined pyrazol-barbituric acid pharmacophores    Abstract | Fulltext
80 Synthesis, crystal structure, density function theory, molecular docking and antimicrobial studies of 2-(3-(4-phenylpiperazin-1-yl) propyl) isoindoline-1,3-dione    Abstract | Fulltext
81 In vivo and in silico investigation of selected herbal compounds as anti-tubercular agents    Abstract | Fulltext
82 Application of group-based QSAR and molecular docking in the design of insulin-like growth factor antagonists    Abstract | Fulltext
83 Hypolipidemic activity of Prosopis cineraria L (Druce) fruit extract and molecular modeling study with farnesoid X receptor (FXR)    Abstract | Fulltext
84 Molecular Dynamics and Docking of Biphenyl: A Potential Attachment Inhibitor for HIV-1 gp120 Glycoprotein    Abstract | Fulltext
85 Design and Development of Halogenated Chalcone Derivatives as Potential Anticancer Agents    Abstract | Fulltext
86 A Novel Mechanistic Approach to Identify New Antifungal Lead Compounds Based on Amphotericin B Molecular Architecture    Abstract | Fulltext
87 Synthesis, Anticonvulsant Activity and In silco Studies of Schiff Bases of 2-Aminothiophenes via Guanidine-Catalyzed Gewald Reaction    Abstract | Fulltext
88 Synthesis and Antitubercular Activity of Some Novel Thiazolidinone Derivatives    Abstract | Fulltext
88 matching items found

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