Contributors |
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xv | |
About the editors |
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xxi | |
Preface |
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xxiii | |
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1 Computational approaches for anticancer drug design |
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1 | (10) |
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Ganji Purnachandra Nagaraju |
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2 | (1) |
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2 Current computational approaches for cancer drug designs |
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2 | (4) |
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3 Applications of computational approaches in cancer drug designing |
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6 | (2) |
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4 Challenges and future directions |
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8 | (1) |
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9 | (2) |
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9 | (2) |
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2 Molecular modeling approach for cancer drug therapy |
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11 | (8) |
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Ganji Purnachandra Nagaraju |
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11 | (1) |
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12 | (1) |
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13 | (1) |
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4 Methods of molecular modeling |
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13 | (1) |
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5 Applications of molecular modeling |
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14 | (1) |
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6 Applications in multidrug-resistant proteins |
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15 | (2) |
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17 | (2) |
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17 | (2) |
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3 Discovery of anticancer therapeutics: Computational chemistry and Artificial Intelligence-assisted approach |
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19 | (24) |
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Manabendra Dutta Choudhury |
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20 | (1) |
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20 | (2) |
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3 Computational chemistry in drug designing |
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22 | (8) |
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4 Structure-based drug designing |
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30 | (1) |
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5 ADME/Tox screening and drug-likeness prediction |
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31 | (1) |
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32 | (1) |
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7 Quantitative structure-activity relationship modeling |
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32 | (1) |
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8 Molecular dynamics simulation |
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33 | (1) |
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9 Artificial Intelligence in drug discovery |
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33 | (1) |
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34 | (9) |
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35 | (8) |
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4 Artificial intelligence in oncological therapies |
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43 | (16) |
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43 | (1) |
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2 Importance of early diagnosis |
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44 | (1) |
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3 How Al can improve accuracy and speed of cancer diagnoses |
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45 | (2) |
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4 How Al can assess patient background information to determine risk of cancer |
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47 | (1) |
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5 Diagnosis of cancer subtype and stage |
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47 | (2) |
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6 Al in cancer drug discovery and development |
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49 | (1) |
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50 | (1) |
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8 Al in recommending drug combinations and repurposing drugs |
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51 | (1) |
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9 Al in identifying drug-target interactions |
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51 | (1) |
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10 Deep learning, black boxes, and hidden layers |
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52 | (2) |
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11 Future of Al in oncology |
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54 | (1) |
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55 | (4) |
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55 | (4) |
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5 Approach of artificial intelligence in colorectal cancer and in precision medicine |
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59 | (14) |
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Ganji Purnachandra Nagaraju |
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59 | (2) |
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2 Applications of Al in CRC |
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61 | (5) |
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3 Robotic-assisted surgery |
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66 | (1) |
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4 Precision medicine in CRC |
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67 | (1) |
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67 | (1) |
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67 | (1) |
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7 Current challenges and prospects |
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67 | (1) |
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68 | (5) |
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68 | (1) |
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68 | (1) |
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68 | (5) |
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6 Artificial intelligence in breast cancer: An opportunity for early diagnosis |
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73 | (18) |
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74 | (4) |
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78 | (8) |
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86 | (5) |
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86 | (5) |
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7 Quantitative structure-activity relationship and its application to cancer therapy |
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91 | (10) |
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Ganji Purnachandra Nagaraju |
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91 | (1) |
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92 | (2) |
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94 | (1) |
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4 Advanced techniques of QSAR |
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94 | (1) |
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5 Application in drug design |
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95 | (1) |
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6 Application in cancer therapy |
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96 | (1) |
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97 | (1) |
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98 | (3) |
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98 | (3) |
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8 Structure-based virtual screening for the identification of novel Greatwall kinase inhibitors |
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101 | (16) |
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Anbumani Velmurugan Ilavarasi |
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Tulsi Saswati Sarita Mohanty |
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102 | (2) |
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104 | (2) |
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106 | (7) |
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113 | (1) |
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114 | (1) |
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114 | (3) |
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114 | (3) |
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9 Strategies for drug repurposing |
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117 | (12) |
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118 | (1) |
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2 Computational drug repurposing |
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118 | (6) |
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3 Experimental drug repurposing |
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124 | (1) |
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4 Conclusions and perspectives |
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125 | (1) |
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126 | (1) |
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126 | (1) |
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126 | (3) |
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126 | (3) |
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10 Principles of computational drug designing and drug repurposing--An algorithmic approach |
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129 | (18) |
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130 | (1) |
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2 Overview of basic thermodynamic principles involved in computational algorithms |
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131 | (1) |
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3 Fundamentals of computational algorithms |
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132 | (3) |
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4 Searching the conformational space |
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135 | (1) |
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5 Analysis of protein flexibility |
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136 | (2) |
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138 | (1) |
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138 | (9) |
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138 | (1) |
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139 | (8) |
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11 Drug discovery and repositioning for glioblastoma multiforme and low-grade astrocytic tumors |
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147 | (54) |
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148 | (3) |
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2 Approved therapeutics for astrocytic tumors |
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151 | (3) |
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3 Drug discovery approaches against astrocytic tumors |
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154 | (10) |
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4 Drug discovery for astrocytic tumors by virtual screening |
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164 | (10) |
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5 Drug repositioning in astrocytic tumor therapy |
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174 | (15) |
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189 | (12) |
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191 | (1) |
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191 | (1) |
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191 | (10) |
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12 Repurposing of phytocompounds-derived novel bioactive compounds possessing promising anticancer and cancer therapeutic efficacy through molecular docking, MD simulation, and drug-likeness/ADMET studies |
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201 | (22) |
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202 | (1) |
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2 Strategies in drug repurposing |
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203 | (1) |
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3 Pros and cons of drug repurposing |
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203 | (1) |
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4 Computational advancements in oncology research |
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204 | (1) |
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5 Structure-based and target-based virtual screening |
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205 | (1) |
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6 Systems biology integrated approach in drug repositioning |
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206 | (1) |
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7 In silico databases and web-based tools for drug repurposing |
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207 | (2) |
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8 Phytochemicals repurposed in cancer therapy |
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209 | (5) |
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9 Antidiabetic phytocompounds repurposed for cancer therapy |
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214 | (1) |
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214 | (9) |
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215 | (8) |
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13 Old drugs and new opportunities--Drug repurposing in colon cancer prevention |
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223 | (14) |
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224 | (1) |
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2 Principles and tools used in drug repurposing |
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225 | (2) |
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3 CategoTies of repurposed drugs against human cancers |
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227 | (1) |
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4 Drugs used in the treatment of colon cancer |
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227 | (2) |
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5 Drug repurposing in the prevention of colon cancer |
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229 | (1) |
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6 Drug repurposing pitfalls |
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230 | (1) |
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7 Computational approaches in drug repurposing for colorectal cancer |
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230 | (2) |
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8 Conclusions and perspectives |
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232 | (5) |
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233 | (1) |
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233 | (4) |
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14 Repurposing cardiac glycosides as the hallmark of immunogenic modulators in cancer therapy |
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237 | (22) |
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238 | (1) |
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2 Repurposing cardiac glycosides in cancer treatment |
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239 | (7) |
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3 CGs hamper Na+/K+-ATPase signaling complex in cancer |
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246 | (1) |
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4 Role of the immune system in cancer |
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247 | (5) |
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252 | (7) |
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252 | (1) |
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253 | (1) |
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Ethics approval and consent to participate |
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253 | (1) |
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253 | (1) |
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253 | (6) |
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15 Systems biology tools for the identification of potential drug targets and biological markers effective for cancer therapeutics |
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259 | (34) |
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260 | (1) |
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2 Current problems in cancer therapies |
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261 | (1) |
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3 Need for alternative approaches in cancer |
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261 | (1) |
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4 GIN: A systems biology approach |
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261 | (1) |
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5 Types of biological networks |
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262 | (3) |
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265 | (5) |
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7 Databases for interaction data curation |
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270 | (2) |
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8 Network construction and visualization |
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272 | (3) |
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275 | (8) |
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10 How can the identified targets be used for cancer therapy? |
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283 | (1) |
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284 | (9) |
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285 | (1) |
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285 | (1) |
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285 | (1) |
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285 | (8) |
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16 Role of human body fluid biomarkers in liver cancer: A systematic review |
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293 | (18) |
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Vigneshwar Suriya Prakash Sinnarasan |
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294 | (1) |
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295 | (1) |
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295 | (6) |
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301 | (4) |
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305 | (1) |
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305 | (6) |
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17 Study on biomarkers in endometrial cancer using transcriptome data: A machine learning approach |
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311 | (18) |
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Vigneshwar Suriya Prakash Sinnarasan |
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312 | (1) |
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313 | (2) |
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315 | (7) |
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322 | (2) |
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324 | (5) |
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324 | (5) |
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18 Drug targeting PIWI like protein-piRNA complex, a novel paradigm in the therapeutic framework of retinoblastoma |
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329 | (58) |
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Muthuramalingam Karpagavalli |
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Jayamuruga Pandian Arunachalam |
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330 | (2) |
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2 Biological functions of PIWI/piRNA in physiological conditions |
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332 | (8) |
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3 Emerging significance of PIWI/piRNA in various cancers |
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340 | (11) |
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4 Retina and its structure |
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351 | (8) |
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5 Potential role of PIWI and piRNA in RB |
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359 | (1) |
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6 PIWI/piRNA as future biomarkers in cancer |
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360 | (4) |
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364 | (23) |
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366 | (1) |
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Declaration of competing interest |
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366 | (1) |
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366 | (19) |
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385 | (2) |
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19 Emerging role of biosimilars: Focus on Bevacizumab and hepatocellular carcinoma |
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387 | (16) |
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388 | (1) |
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2 Biologies and biosimilars |
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388 | (1) |
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3 FDA approved biosimilars to date |
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389 | (1) |
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4 Role of Bevacizumab and its biosimilar in hepatocellular carcinoma |
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389 | (5) |
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5 Clinical trials with Bevacizumab and its biosimilar in HCC |
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394 | (5) |
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6 Conclusions and future perspectives |
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399 | (4) |
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399 | (1) |
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399 | (1) |
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399 | (4) |
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20 Integrated computational approaches to aid precision medicine for cancer therapy: Present scenario and future prospects |
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403 | (22) |
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404 | (2) |
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2 Precision cancer medicine: Prospects and hurdles |
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406 | (3) |
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3 Next generation sequencing and computational genomics in PCM |
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409 | (6) |
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4 Drug repositioning using translational bioinformatics |
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415 | (1) |
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415 | (2) |
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417 | (8) |
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418 | (1) |
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418 | (1) |
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418 | (1) |
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418 | (7) |
Index |
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425 | |