Browse Title Index

Issue Title File
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 3 (2024) A New Optimized Hybridization Approach for in silico High Throughput Molecular Docking on FPGA Platform PDF
(Eng)
Jarrah A., Lababneh J.
Vol 20, No 5 (2024) A Novel Deep Learning Model for Drug-drug Interactions PDF
(Eng)
Abdul Raheem A., Dhannoon B.
Vol 20, No 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.
Vol 20, No 6 (2024) Acknowledgements to Reviewers PDF
(Eng)
Vol 20, No 5 (2024) Advances in Drug Discovery and Design using Computer-aided Molecular Modeling PDF
(Eng)
Singh K., Bhushan B., Singh B.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 3 (2024) Computational Insight into the Mechanism of Action of DNA Gyrase Inhibitors; Revealing a New Mechanism PDF
(Eng)
Muhammed M., Aki-Yalcin E.
Vol 20, No 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.
Vol 20, No 4 (2024) Computer Simulation for Effective Pharmaceutical Kinetics and Dynamics: A Review PDF
(Eng)
Tiwari G., Shukla A., Singh A., Tiwari R.
Vol 20, No 7 (2024) Computer-aided Design of Wide-spectrum Coronavirus Helicase NSP13 Cage Inhibitors: A Molecular Modelling Approach PDF
(Eng)
Shiryaev V., Klimochkin Y.
Vol 20, No 4 (2024) Computer-aided Drug Discovery Approaches in the Identification of Natural Products against SARS-CoV-2: A Review PDF
(Eng)
Junqueira Ribeiro M.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.I., Rafatpanah H., Rezaee S.A., Gorji A., Griffith R., Mashkani B.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 5 (2024) Docking, Synthesis, and In vitro Anti-depressant Activity of Certain Isatin Derivatives PDF
(Eng)
Muthukumaran T., K A., M Saleshier F.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 6 (2024) Fluorinated Diaryl Sulfonamides: Molecular Modeling, Synthesis, and In Vitro Validation as New CETP Inhibitors PDF
(Eng)
Khalaf R., Shalluf A., Habash M.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 7 (2024) Identify Diabetes-related Targets based on ForgeNet_GPC PDF
(Eng)
Yang B., Wang L., Bao W.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 5 (2024) In silico Identification of Potential Inhibitors against Staphylococcus aureus Tyrosyl-tRNA Synthetase PDF
(Eng)
Monobe K., Taniguchi H., Aoki S.
Vol 20, No 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.A., Asgarian F., Tavalla M., Ghafari S., Kohansal K.
Vol 20, No 5 (2024) In-silico Assessment of Polyherbal Oils as Anti-diabetic Therapeutics PDF
(Eng)
Bahl A., Verma V., Prajapati V., Bhatia J., Arya D.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.R., Zachariah S., S. K. K.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 6 (2024) Predicting Antitumor Activity of Anthrapyrazole Derivatives using Advanced Machine Learning Techniques PDF
(Eng)
Gackowski M., Pluskota R., Koba M.
Vol 20, No 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.
Vol 20, No 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.N., Hu J., Zhao Q., Peng Z., Liu C., Su S.
Vol 20, No 1 (2024) Preface PDF
(Eng)
Wei D.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 1 (2024) Tacrolimus and Azole Derivatives of Agricultural and Human Health Importance: Prediction of ADME Properties PDF
(Eng)
Antypenko L., Shabelnyk K., Kovalenko S.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.
Vol 20, No 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.S., Han J., Kwon Y., Lee H., Chun W.
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