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Том 20, № 6 (2024) A Computational Approach for Designing and Validating Small Interfering RNA against SARS-CoV-2 Variants PDF
(Eng)
Dhotre K., Dass D., Banerjee A., Nema V., Mukherjee A.
Том 20, № 3 (2024) A Computational Investigation on Chitosan Derivatives using Pharmacophore- based Screening, Molecular Docking, and Molecular Dynamics Simulations against Kaposi Sarcoma PDF
(Eng)
Sakthivel K., Ganapathy P., Chandrasekaran K., Subbaraj G., Kulanthaivel L.
Том 20, № 3 (2024) A New Optimized Hybridization Approach for in silico High Throughput Molecular Docking on FPGA Platform PDF
(Eng)
Jarrah A., Lababneh J.
Том 20, № 5 (2024) A Novel Deep Learning Model for Drug-drug Interactions PDF
(Eng)
Abdul Raheem A., Dhannoon B.
Том 20, № 5 (2024) A Rationalized Approach to Design and Discover Novel Non-steroidal Derivatives through Computational Aid for the Treatment of Prostate Cancer PDF
(Eng)
Kumar S., Arora P., Wadhwa P., Kaur P.
Том 20, № 6 (2024) Acknowledgements to Reviewers PDF
(Eng)
Том 20, № 5 (2024) Advances in Drug Discovery and Design using Computer-aided Molecular Modeling PDF
(Eng)
Singh K., Bhushan B., Singh B.
Том 20, № 5 (2024) Amalgamated Pharmacoinformatics Study to Investigate the Mechanism of Xiao Jianzhong Tang against Chronic Atrophic Gastritis PDF
(Eng)
Lian X., Fan K., Qin X., Liu Y.
Том 20, № 3 (2024) Application of Cell Penetrating Peptides for Intracellular Delivery of Endostatin: A Computational Approach PDF
(Eng)
Zamani M., Nezafat N., Mokarram P., Kadkhodaei B.
Том 20, № 2 (2024) Application of Network Pharmacology and Molecular Docking to Explore the Mechanism of Danggui Liuhuang Tang against Hyperthyroidism PDF
(Eng)
Song D., Yang B., Bao W., Wang J.
Том 20, № 5 (2024) Assessment of Anticholinergic and Antidiabetic Properties of Some Natural and Synthetic Molecules: An In vitro and In silico Approach PDF
(Eng)
Çomaklı V., Aygül İ., Sağlamtaş R., Kuzu M., Demirdağ R., Akincioğlu H., Adem Ş., Gülçin İ.
Том 20, № 6 (2024) Automation of Drug Discovery through Cutting-edge In-silico Research in Pharmaceuticals: Challenges and Future Scope PDF
(Eng)
Singh S., Singh P., Sachan K., Kumar M., Bhardwaj P.
Том 20, № 6 (2024) Banxia Xiexin Decoction Prevents HT22 Cells from High Glucose-induced Neurotoxicity via JNK/SIRT1/Foxo3a Signaling Pathway PDF
(Eng)
Shi Y., Sheng P., Guo M., Chen K., Zhao Y., Wang X., Wu M., Li B.
Том 20, № 5 (2024) Chemical Composition, In vitro and In silico Evaluation of Essential Oil from Ocimum tenuiflorum and Coriandrum sativum Linn for Lung Cancer PDF
(Eng)
Singh B., Prajapati K., Kumar A., Patel S., Kumar S., Jaitak V.
Том 20, № 7 (2024) Clodronic Acid has Strong Inhibitory Interactions with the Urease Enzyme of Helicobacter pylori: Computer-aided Design and in vitro Confirmation PDF
(Eng)
Fath M., Khalili S., Boojar M., Hashemi Z., Zarei M.
Том 20, № 3 (2024) Computational Insight into the Mechanism of Action of DNA Gyrase Inhibitors; Revealing a New Mechanism PDF
(Eng)
Muhammed M., Aki-Yalcin E.
Том 20, № 6 (2024) Computational Studies and Antimicrobial Activity of 1-(benzo[d]oxazol-2- yl)-3,5-diphenylformazan Derivatives PDF
(Eng)
Almehmadi M., Alsaiari A., Allahyani M., Alsharif A., Aljuaid A., Saha S., Asif M.
Том 20, № 4 (2024) Computer Simulation for Effective Pharmaceutical Kinetics and Dynamics: A Review PDF
(Eng)
Tiwari G., Shukla A., Singh A., Tiwari R.
Том 20, № 7 (2024) Computer-aided Design of Wide-spectrum Coronavirus Helicase NSP13 Cage Inhibitors: A Molecular Modelling Approach PDF
(Eng)
Shiryaev V., Klimochkin Y.
Том 20, № 4 (2024) Computer-aided Drug Discovery Approaches in the Identification of Natural Products against SARS-CoV-2: A Review PDF
(Eng)
Junqueira Ribeiro M.
Том 20, № 6 (2024) Deciphering the Underlying Mechanisms of Sanleng-Ezhu for the Treatment of Idiopathic Pulmonary Fibrosis Based on Network Pharmacology and Single-cell RNA Sequencing Data PDF
(Eng)
Zhou X., Tan F., Zhang S., Zhang T.
Том 20, № 7 (2024) Design, In silico Screening, Synthesis, Characterisation and DFT-based Electronic Properties of Dihydropyridine-based Molecule as L-type Calcium Channel Blocker PDF
(Eng)
Karmakar S., Basak H., Paswan U., Saha S., Mandal S., Chatterjee A.
Том 20, № 3 (2024) Designing a Multi-epitope Vaccine against the SARS-CoV-2 Variant based on an Immunoinformatics Approach PDF
(Eng)
Farhani I., Yamchi A., Madanchi H., Khazaei V., Behrouzikhah M., Abbasi H., Salehi M., Moradi N., Sanami S.
Том 20, № 1 (2024) Development of Potential Inhibitors for Human T-lymphotropic Virus Type I Integrase Enzyme: A Molecular Modeling Approach PDF
(Eng)
Jalili-Nik M., Soltani A., Hashemy S., Rafatpanah H., Rezaee S., Gorji A., Griffith R., Mashkani B.
Том 20, № 3 (2024) DFT, Molecular Docking, Bioactivity and ADME Analyses of Vic-dioxim Ligand Containing Hydrazone Group and its Zn(II) Complex PDF
(Eng)
Gökçe Çalişkan Ş.
Том 20, № 6 (2024) Discovery of a Potential Allosteric Site in the SARS-CoV-2 Spike Protein and Targeting Allosteric Inhibitor to Stabilize the RBD Down State using a Computational Approach PDF
(Eng)
Li T., Yan Z., Zhou W., Liu Q., Liu J., Hua H.
Том 20, № 5 (2024) Docking, Synthesis, and In vitro Anti-depressant Activity of Certain Isatin Derivatives PDF
(Eng)
Muthukumaran T., K A., M Saleshier F.
Том 20, № 6 (2024) Efficacy and Safety of PARP Inhibitor Therapy in Advanced Ovarian Cancer: A Systematic Review and Network Meta-analysis of Randomized Controlled Trials PDF
(Eng)
Chen J., Wu X., Wang H., Lian X., Li B., Zhan X.
Том 20, № 2 (2024) Esters of Quinoxaline-7-Carboxylate 1,4-di-N-Oxide as Potential Inhibitors of Glycolytic Enzymes of Entamoeba histolytica: In silico Approach PDF
(Eng)
Zavala-Ocampo L., Soto-Sánchez J., Pérez-Mora S., Ospina-Villa J.
Том 20, № 3 (2024) Evaluation of the Mechanism of Sinomenii Caulis in Treating Ulcerative Colitis based on Network Pharmacology and Molecular Docking PDF
(Eng)
Tian J., Yang C., Wang Y., Zhou C.
Том 20, № 5 (2024) Exploring the Mechanisms of Self-made Kuiyu Pingchang Recipe for the Treatment of Ulcerative Colitis and Irritable Bowel Syndrome using a Network Pharmacology-based Approach and Molecular Docking PDF
(Eng)
Wen Y., Wang X., Si K., Xu L., Huang S., Zhan Y.
Том 20, № 2 (2024) Exploring the Molecular Mechanism of HongTeng Decoction against Inflammation based on Network Analysis and Experiments Validation PDF
(Eng)
Yang Y., Bi C., Li B., Li Y., Song Y., Zhang M., Peng L., Fan D., Duan R., Li Z.
Том 20, № 7 (2024) Exploring the Molecular Mechanism of Niuxi-Mugua Formula in Treating Coronavirus Disease 2019 via Network Pharmacology, Computational Biology, and Surface Plasmon Resonance Verification PDF
(Eng)
Wang W., Cao X., Cao Y., Liu L., Zhang S., Qi W., Zhang J., Yang X., Li X., Zao X., Ye Y.
Том 20, № 5 (2024) Exploring the Potential Molecular Mechanism of the Shugan Jieyu Capsule in the Treatment of Depression through Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation PDF
(Eng)
Liu Z., Huang H., Yu Y., Jia Y., Li L., Shi X., Wang F.
Том 20, № 6 (2024) Fluorinated Diaryl Sulfonamides: Molecular Modeling, Synthesis, and In Vitro Validation as New CETP Inhibitors PDF
(Eng)
Khalaf R., Shalluf A., Habash M.
Том 20, № 1 (2024) Graph Convolutional Capsule Regression (GCCR): A Model for Accelerated Filtering of Novel Potential Candidates for SARS-CoV-2 based on Binding Affinity PDF
(Eng)
Krishnan A., Vinod D.
Том 20, № 6 (2024) Graph-DTI: A New Model for Drug-target Interaction Prediction Based on Heterogenous Network Graph Embedding PDF
(Eng)
Qu X., Du G., Hu J., Cai Y.
Том 20, № 6 (2024) Hibiscus sabdariffa Linn. Extract Increases the mRNA Expression of the Arcuate Nucleus Leptin Receptor and is Predicted in silico as an Anti-obesity Agent PDF
(Eng)
Kartinah N., Anggraini S., Fadilah F., Rickie R.
Том 20, № 5 (2024) Hybrid Analogues of Hydrazone and Phthalimide: Design, Synthesis, In vivo, In vitro, and In silico Evaluation as Analgesic Agents PDF
(Eng)
Shokri S., Ayazi H., Tamjid M., Ghoreishi F., Shokri M., Badakhshannouri S., Naderi N., Daraei B., Mousavi Z., Davood A.
Том 20, № 4 (2024) Identification of Essential Genes and Drug Discovery in Bladder Cancer and Inflammatory Bowel Disease via Text Mining and Bioinformatics Analysis PDF
(Eng)
Zheng Q., Guo L., Yang R., Chen Z., Liu X.
Том 20, № 6 (2024) Identification of Prognostic Markers and Potential Therapeutic Targets using Gene Expression Profiling and Simulation Studies in Pancreatic Cancer PDF
(Eng)
Singh S., Kaushik A., Gupta H., Jhinjharia D., Sahi S.
Том 20, № 7 (2024) Identify Diabetes-related Targets based on ForgeNet_GPC PDF
(Eng)
Yang B., Wang L., Bao W.
Том 20, № 3 (2024) In silico Analysis of Natural Inhibitors against HPV E6 Protein PDF
(Eng)
Vani V., Venkateshappa S., Nishitha R., Shashidhar H., Hegde A., Alagumuthu M.
Том 20, № 7 (2024) In silico Exploration of a Novel ICMT Inhibitor with More Solubility than Cysmethynil against Membrane Localization of KRAS Mutant in Colorectal Cancer PDF
(Eng)
Mouhcine M., Kadil Y., Segmani I., Rahmoune I., Filali H.
Том 20, № 5 (2024) In silico Identification of Potential Inhibitors against Staphylococcus aureus Tyrosyl-tRNA Synthetase PDF
(Eng)
Monobe K., Taniguchi H., Aoki S.
Том 20, № 2 (2024) In vitro Culture and Multilocus Genotyping of Giardia duodenalis Trophozoites Obtained from Human Fecal Samples in Southwest of Iran PDF
(Eng)
Yousefi H., Asgarian F., Tavalla M., Ghafari S., Kohansal K.
Том 20, № 5 (2024) In-silico Assessment of Polyherbal Oils as Anti-diabetic Therapeutics PDF
(Eng)
Bahl A., Verma V., Prajapati V., Bhatia J., Arya D.
Том 20, № 5 (2024) In-silico Investigation of Ginseng Phytoconstituents as Novel Therapeutics Against MAO-A PDF
(Eng)
Choudhary D., Kaur R., Rani N., Singh T., Kumar B.
Том 20, № 4 (2024) Investigation on the Anticancer Activity of [6]-Gingerol of Zingiber officinale and its Structural Analogs against Skin Cancer PDF
(Eng)
Adikesavan M., Athiraja P., Divakar M.
Том 20, № 6 (2024) Machine Learning Algorithms Identify Target Genes and the Molecular Mechanism of Matrine against Diffuse Large B-cell Lymphoma PDF
(Eng)
Zhu Y., Ning Z., Li X., Lin Z.
Том 20, № 7 (2024) Mechanism of Polygala-Acorus in Treating Autism Spectrum Disorder Based on Network Pharmacology and Molecular Docking PDF
(Eng)
Chen H., Zhou C., Li W., Bian Y.
Том 20, № 6 (2024) Molecular Docking and Molecular Dynamics Simulation of New Potential JAK3 Inhibitors PDF
(Eng)
Zhong Q., Qin J., Zhao K., Guo L., Li D.
Том 20, № 5 (2024) Molecular Mechanism and Structure-activity Relationship of the Inhibition Effect between Monoamine Oxidase and Selegiline Analogues PDF
(Eng)
Yang C., Wang X., Gao C., Liu Y., Ma Z., Zang J., Wang H., Liu L., Liu Y., Sun H., Wang W.
Том 20, № 1 (2024) Molecular Mechanism of Caulis Spatholobi in the Treatment of Chronic Myeloid Leukemia based on Network Pharmacology and Experimental Verification PDF
(Eng)
Wu Y., Lian F., Chen H., Zhang C., Wei L., Tian H.
Том 20, № 6 (2024) Molecular Modelling of Resveratrol Derivatives with SIRT1 for the Stimulation of Deacetylase Activity PDF
(Eng)
Zamani M., Mokarram P., Jamshidi M., Siri M., Ghasemi H.
Том 20, № 7 (2024) Network Pharmacology and Bioinformatics Analyses Identify the Core Genes and Pyroptosis-Related Mechanisms of Nardostachys Chinensis for Atrial Fibrillation PDF
(Eng)
Xue W., Luo Y., He W., Yan M., Zhao H., Qing L.
Том 20, № 2 (2024) Network Pharmacology and Intestinal Microbiota Analysis Revealing the Mechanism of Punicalagin Improving Bacterial Enteritis PDF
(Eng)
Huang S., Wang Y., Zhu Q., Guo H., Hong Z., Zhong S.
Том 20, № 4 (2024) Network Pharmacology Combined with GEO Analysis of the Mechanism of Qing-Jin-Hua-Tan Decoction in the Treatment of Non-small Cell Lung Cancer PDF
(Eng)
Wei Y., Liu C.
Том 20, № 6 (2024) Network Pharmacology, Molecular Docking and Experimental Verification Revealing the Mechanism of Fule Cream against Childhood Atopic Dermatitis PDF
(Eng)
Liu C., Liu Y., Liu Y., Guan J., Gao Y., Ou L., Qi Y., Lv X., Zhang J.
Том 20, № 1 (2024) Network Pharmacology Study to Reveal the Mechanism of Zuogui Pill for Treating Osteoporosis PDF
(Eng)
Wang G., Li H., Zhao H., Liu D., Chu S., Lee M., Fang Z.
Том 20, № 4 (2024) Network Pharmacology-based and Molecular Docking Combined with GEO Gene Chips to Investigate the Potential Mechanism of Duhuo Jisheng Decoction against Rheumatoid Arthritis PDF
(Eng)
Yang Z., Yuan Z., Ma X.
Том 20, № 1 (2024) Novel 1-H Phenyl Benzimidazole Derivatives for IBD Therapy - An in-vitro and in-silico Approach to Evaluate its Effects on the IL-23 Mediated Inflammatory Pathway PDF
(Eng)
Vishnu V., Krishnendu P., Zachariah S., S. K. K.
Том 20, № 5 (2024) Optimizing the Extraction of Polyphenols from the Bark of Terminalia arjuna and an In-silico Investigation on its Activity in Colorectal Cancer PDF
(Eng)
Adhikary T., Basak P.
Том 20, № 4 (2024) Potential Aromatase Inhibitors from Centella asiatica with Non-synonymous SNPS - A Computational Approach PDF
(Eng)
Temkar S., Sridhara A., Mallur D., Shivaprakash D., Iyengar D., Das N., C B.
Том 20, № 4 (2024) Potential Mechanisms Underlying the Therapeutic Roles of Gancao fuzi Decoction in Cold-dampness Obstruction Syndrome-type Knee Osteoarthritis PDF
(Eng)
Zhao J., Liang G., Huang H., Yang W., Pan J., Luo M., Zeng L., Liu J.
Том 20, № 6 (2024) Predicting Antitumor Activity of Anthrapyrazole Derivatives using Advanced Machine Learning Techniques PDF
(Eng)
Gackowski M., Pluskota R., Koba M.
Том 20, № 5 (2024) Predicting the Mechanism of Tiannanxing-shengjiang Drug Pair in Treating Pain Using Network Pharmacology and Molecular Docking Technology PDF
(Eng)
Wang B., Wang Y., Mao P., Zhang Y., Li Y., Liu X., Fan B.
Том 20, № 2 (2024) Prediction of the Molecular Mechanism of Corni Fructus-Epimedii Folium- Rehmanniae Radix Praeparata in the Treatment of Postmenopausal Osteoporosis based on Network Pharmacology and Molecular Docking PDF
(Eng)
Zhou Y., Li X., Wang J., He R., Ng L., Li D., Mortimer J., Varma S., Hu J., Zhao Q., Peng Z., Liu C., Su S.
Том 20, № 1 (2024) Preface PDF
(Eng)
Wei D.
Том 20, № 6 (2024) Rational Design of Dual Inhibitors for Alzheimer's Disease: Insights from Computational Screening of BACE1 and GSK-3β PDF
(Eng)
Sai Varshini M., Aishwarya Reddy R., Thaggikuppe Krishnamurthy P., Selvaraj D.
Том 20, № 3 (2024) Research of Active Compounds from Allii Macrostemonis Bulbus and Potential Targets against Non-Hodgkin’s Lymphoma Based on Network Pharmacology PDF
(Eng)
Qiu X., Zhao Q., Qiu H., Cheng Y., Liu W., Yang L.
Том 20, № 5 (2024) Research on the Regulatory Mechanism of Ginseng on the Tumor Microenvironment of Colorectal Cancer based on Network Pharmacology and Bioinformatics Validation PDF
(Eng)
Wang T., Zhang W., Fang C., Wang N., Zhuang Y., Gao S.
Том 20, № 2 (2024) Screening of Inhibitors against Idiopathic Pulmonary Fibrosis: Few-shot Machine Learning and Molecule Docking based Drug Repurposing PDF
(Eng)
Chang J., Zou S., Xu S., Xiao Y., Zhu D.
Том 20, № 4 (2024) Structure-based Virtual Screening and Molecular Dynamic Simulation Approach for the Identification of Terpenoids as Potential DPP-4 Inhibitors PDF
(Eng)
Pulikkottil A., Kumar A., Jangid K., Kumar V., Jaitak V.
Том 20, № 5 (2024) Strychni Semen Combined with Atractylodes Macrocephala Koidz Attenuates Rheumatoid Arthritis by Regulating Apoptosis PDF
(Eng)
Wang X., Li Y., Lou H., Yang Z., Wang J., Liang X., Bian Y.
Том 20, № 4 (2024) Synthesis and in-silico Studies of 4-phenyl thiazol-2-amine Derivatives as Putative Anti-breast Cancer Agents PDF
(Eng)
Lavanya K., Kaur K., Jaitak V.
Том 20, № 5 (2024) Synthesis, and In-silico Studies of Indole-chalcone Derivatives Targeting Estrogen Receptor Alpha (ER-α) for Breast Cancer PDF
(Eng)
Choudhari R., Kaur K., Das A., Jaitak V.
Том 20, № 5 (2024) Synthesis, Docking Study of Some Novel Chromeno[4',3'-b]Pyrano [6,5-d]Pyrimidine Derivatives Against COVID-19 Main Protease (Mpro) (6LU7, 6M03) PDF
(Eng)
Motamedi R., Soufian S., Ghalhar Z., Jalali M., Rahimi H.
Том 20, № 5 (2024) Synthesis, Molecular Modeling and Biological Evaluation of Novel Trifluoromethyl Benzamides as Promising CETP Inhibitors PDF
(Eng)
Abu Khalaf R., Abusaad A., Al-Nawaiseh B., Sabbah D., Albadawi G.
Том 20, № 1 (2024) Tacrolimus and Azole Derivatives of Agricultural and Human Health Importance: Prediction of ADME Properties PDF
(Eng)
Antypenko L., Shabelnyk K., Kovalenko S.
Том 20, № 6 (2024) Targets and Mechanisms of Xuebijing in the Treatment of Acute Kidney Injury Associated with Sepsis: A Network Pharmacology-based Study PDF
(Eng)
Wang J., Luo C., Luo M., Zhou S., Kuang G.
Том 20, № 6 (2024) The Diagnostic Features of Peripheral Blood Biomarkers in Identifying Osteoarthritis Individuals: Machine Learning Strategies and Clinical Evidence PDF
(Eng)
Zhou Q., Liu J., Xin L., Hu Y., Qi Y.
Том 20, № 2 (2024) The Possibility of Polygonum cuspidatum against Osteoarthritis based on Network Pharmacology PDF
(Eng)
Liu C., Yu L., Jiang Y., Gu S., Li C., Yin W., Zhou Z.
Том 20, № 6 (2024) The Potential Roles of Ficus carica Extract in the Management of COVID-19 Viral Infections: A Computer-aided Drug Design Study PDF
(Eng)
Hamed M., Khalifa M., El Hassab M., Abourehab M., Al Kamaly O., Alanazi A., Eldehna W., Mansour F.
Том 20, № 1 (2024) The Therapeutic Effect and Potential Pharmacological Mechanisms of Ding-Zhi-Xiao-Wan on Depression were Investigated by Meta-analysis, Network Pharmacology and Molecular Docking PDF
(Eng)
Lin L., Wu H., Qiu Z.
Том 20, № 5 (2024) To Explore the Mechanism of Maiwei Dihuang Decoction in the Treatment of Non-small Cell Lung Cancer based on Network Pharmacology Combined with LC-MS PDF
(Eng)
Jiang T., Lu Y., Yang W., Xu J., Zhu M., Huang Y., Bao F., Zheng S., Li Y.
Том 20, № 6 (2024) Unearthing Insights into Metabolic Syndrome by Linking Drugs, Targets, and Gene Expressions Using Similarity Measures and Graph Theory PDF
(Eng)
Zafar A., Wajid B., Shabbir A., Gohar Awan F., Ahsan M., Ahmad S., Wajid I., Anwar F., Mazhar F.
Том 20, № 6 (2024) Unveiling the Anti-convulsant Potential of Novel Series of 1,2,4-Triazine- 6H-Indolo[2,3-b]quinoline Derivatives: In Silico Molecular Docking, ADMET, DFT, and Molecular Dynamics Exploration PDF
(Eng)
Singh H., Pathak D.
Том 20, № 5 (2024) Virtual Screening of Flavonoids against Plasmodium vivax Duffy Binding Protein Utilizing Molecular Docking and Molecular Dynamic Simulation PDF
(Eng)
Yasir M., Park J., Han E., Park W., Han J., Kwon Y., Lee H., Chun W.
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