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Computational Studies and Synthesis of New Heterocyclics as CNS Agents
CONCLUSION: The designed scheme was executed in the departmental laboratory. The chemical structure of the compounds was confirmed on the basis of TLC, IR, and 1HNMR analyses. The docking study revealed a good docking score of the compounds. The Log P value of the compounds indicated their good penetration into CNS. The compounds were also screened for anxiolytic activity. Among them, compounds 4f, 4h, and P3 showed maximum activity as anti-anxiolytic agents.PMID:37723630 | DOI:10.2174/1570163820666230918100218 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 19, 2023 Category: Drugs & Pharmacology Authors: Pooja Saini Sushil Kumar Source Type: research

Computational Studies and Synthesis of New Heterocyclics as CNS Agents
CONCLUSION: The designed scheme was executed in the departmental laboratory. The chemical structure of the compounds was confirmed on the basis of TLC, IR, and 1HNMR analyses. The docking study revealed a good docking score of the compounds. The Log P value of the compounds indicated their good penetration into CNS. The compounds were also screened for anxiolytic activity. Among them, compounds 4f, 4h, and P3 showed maximum activity as anti-anxiolytic agents.PMID:37723630 | DOI:10.2174/1570163820666230918100218 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 19, 2023 Category: Drugs & Pharmacology Authors: Pooja Saini Sushil Kumar Source Type: research

Computational Studies and Synthesis of New Heterocyclics as CNS Agents
CONCLUSION: The designed scheme was executed in the departmental laboratory. The chemical structure of the compounds was confirmed on the basis of TLC, IR, and 1HNMR analyses. The docking study revealed a good docking score of the compounds. The Log P value of the compounds indicated their good penetration into CNS. The compounds were also screened for anxiolytic activity. Among them, compounds 4f, 4h, and P3 showed maximum activity as anti-anxiolytic agents.PMID:37723630 | DOI:10.2174/1570163820666230918100218 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 19, 2023 Category: Drugs & Pharmacology Authors: Pooja Saini Sushil Kumar Source Type: research

Computational Studies and Synthesis of New Heterocyclics as CNS Agents
CONCLUSION: The designed scheme was executed in the departmental laboratory. The chemical structure of the compounds was confirmed on the basis of TLC, IR, and 1HNMR analyses. The docking study revealed a good docking score of the compounds. The Log P value of the compounds indicated their good penetration into CNS. The compounds were also screened for anxiolytic activity. Among them, compounds 4f, 4h, and P3 showed maximum activity as anti-anxiolytic agents.PMID:37723630 | DOI:10.2174/1570163820666230918100218 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 19, 2023 Category: Drugs & Pharmacology Authors: Pooja Saini Sushil Kumar Source Type: research

Computational Studies and Synthesis of New Heterocyclics as CNS Agents
CONCLUSION: The designed scheme was executed in the departmental laboratory. The chemical structure of the compounds was confirmed on the basis of TLC, IR, and 1HNMR analyses. The docking study revealed a good docking score of the compounds. The Log P value of the compounds indicated their good penetration into CNS. The compounds were also screened for anxiolytic activity. Among them, compounds 4f, 4h, and P3 showed maximum activity as anti-anxiolytic agents.PMID:37723630 | DOI:10.2174/1570163820666230918100218 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 19, 2023 Category: Drugs & Pharmacology Authors: Pooja Saini Sushil Kumar Source Type: research

Computational Studies and Synthesis of New Heterocyclics as CNS Agents
CONCLUSION: The designed scheme was executed in the departmental laboratory. The chemical structure of the compounds was confirmed on the basis of TLC, IR, and 1HNMR analyses. The docking study revealed a good docking score of the compounds. The Log P value of the compounds indicated their good penetration into CNS. The compounds were also screened for anxiolytic activity. Among them, compounds 4f, 4h, and P3 showed maximum activity as anti-anxiolytic agents.PMID:37723630 | DOI:10.2174/1570163820666230918100218 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 19, 2023 Category: Drugs & Pharmacology Authors: Pooja Saini Sushil Kumar Source Type: research

Computational Studies and Synthesis of New Heterocyclics as CNS Agents
CONCLUSION: The designed scheme was executed in the departmental laboratory. The chemical structure of the compounds was confirmed on the basis of TLC, IR, and 1HNMR analyses. The docking study revealed a good docking score of the compounds. The Log P value of the compounds indicated their good penetration into CNS. The compounds were also screened for anxiolytic activity. Among them, compounds 4f, 4h, and P3 showed maximum activity as anti-anxiolytic agents.PMID:37723630 | DOI:10.2174/1570163820666230918100218 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 19, 2023 Category: Drugs & Pharmacology Authors: Pooja Saini Sushil Kumar Source Type: research

Computational Studies and Synthesis of New Heterocyclics as CNS Agents
CONCLUSION: The designed scheme was executed in the departmental laboratory. The chemical structure of the compounds was confirmed on the basis of TLC, IR, and 1HNMR analyses. The docking study revealed a good docking score of the compounds. The Log P value of the compounds indicated their good penetration into CNS. The compounds were also screened for anxiolytic activity. Among them, compounds 4f, 4h, and P3 showed maximum activity as anti-anxiolytic agents.PMID:37723630 | DOI:10.2174/1570163820666230918100218 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 19, 2023 Category: Drugs & Pharmacology Authors: Pooja Saini Sushil Kumar Source Type: research

Computational Studies and Synthesis of New Heterocyclics as CNS Agents
CONCLUSION: The designed scheme was executed in the departmental laboratory. The chemical structure of the compounds was confirmed on the basis of TLC, IR, and 1HNMR analyses. The docking study revealed a good docking score of the compounds. The Log P value of the compounds indicated their good penetration into CNS. The compounds were also screened for anxiolytic activity. Among them, compounds 4f, 4h, and P3 showed maximum activity as anti-anxiolytic agents.PMID:37723630 | DOI:10.2174/1570163820666230918100218 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 19, 2023 Category: Drugs & Pharmacology Authors: Pooja Saini Sushil Kumar Source Type: research

Comprehensive Review on Drug-target Interaction Prediction - Latest Developments and Overview
Curr Drug Discov Technol. 2023 Sep 6. doi: 10.2174/1570163820666230901160043. Online ahead of print.ABSTRACTDrug-target interactions (DTIs) are an important part of the drug development process. When the drug (a chemical molecule) binds to a target (proteins or nucleic acids), it modulates the biological behavior/function of the target, returning it to its normal state. Predicting DTIs plays a vital role in the drug discovery (DD) process as it has the potential to enhance efficiency and reduce costs. However, DTI prediction poses significant challenges and expenses due to the time-consuming and costly nature of experiment...
Source: Current Drug Discovery Technologies - September 8, 2023 Category: Drugs & Pharmacology Authors: Ali K Abdul Raheem Ban N Dhannoon Source Type: research

QSAR Studies and Scaffold Optimization of Predicted Novel ACC 2 Inhibitors to treat Metabolic Syndrome
CONCLUSION: The compounds designed in the present study have tremendous potential to yield orally active ACC 2 inhibitors to treat metabolic syndrome.PMID:37680153 | DOI:10.2174/1570163820666230901144003 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 8, 2023 Category: Drugs & Pharmacology Authors: Kirtika Madan Sarvesh Paliwal Swapnil Sharma Seema Kesar Neha Chauhan Mansi Madan Source Type: research

Comprehensive Review on Drug-target Interaction Prediction - Latest Developments and Overview
Curr Drug Discov Technol. 2023 Sep 6. doi: 10.2174/1570163820666230901160043. Online ahead of print.ABSTRACTDrug-target interactions (DTIs) are an important part of the drug development process. When the drug (a chemical molecule) binds to a target (proteins or nucleic acids), it modulates the biological behavior/function of the target, returning it to its normal state. Predicting DTIs plays a vital role in the drug discovery (DD) process as it has the potential to enhance efficiency and reduce costs. However, DTI prediction poses significant challenges and expenses due to the time-consuming and costly nature of experiment...
Source: Current Drug Discovery Technologies - September 8, 2023 Category: Drugs & Pharmacology Authors: Ali K Abdul Raheem Ban N Dhannoon Source Type: research

QSAR Studies and Scaffold Optimization of Predicted Novel ACC 2 Inhibitors to treat Metabolic Syndrome
CONCLUSION: The compounds designed in the present study have tremendous potential to yield orally active ACC 2 inhibitors to treat metabolic syndrome.PMID:37680153 | DOI:10.2174/1570163820666230901144003 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 8, 2023 Category: Drugs & Pharmacology Authors: Kirtika Madan Sarvesh Paliwal Swapnil Sharma Seema Kesar Neha Chauhan Mansi Madan Source Type: research

Comprehensive Review on Drug-target Interaction Prediction - Latest Developments and Overview
Curr Drug Discov Technol. 2023 Sep 6. doi: 10.2174/1570163820666230901160043. Online ahead of print.ABSTRACTDrug-target interactions (DTIs) are an important part of the drug development process. When the drug (a chemical molecule) binds to a target (proteins or nucleic acids), it modulates the biological behavior/function of the target, returning it to its normal state. Predicting DTIs plays a vital role in the drug discovery (DD) process as it has the potential to enhance efficiency and reduce costs. However, DTI prediction poses significant challenges and expenses due to the time-consuming and costly nature of experiment...
Source: Current Drug Discovery Technologies - September 8, 2023 Category: Drugs & Pharmacology Authors: Ali K Abdul Raheem Ban N Dhannoon Source Type: research

QSAR Studies and Scaffold Optimization of Predicted Novel ACC 2 Inhibitors to treat Metabolic Syndrome
CONCLUSION: The compounds designed in the present study have tremendous potential to yield orally active ACC 2 inhibitors to treat metabolic syndrome.PMID:37680153 | DOI:10.2174/1570163820666230901144003 (Source: Current Drug Discovery Technologies)
Source: Current Drug Discovery Technologies - September 8, 2023 Category: Drugs & Pharmacology Authors: Kirtika Madan Sarvesh Paliwal Swapnil Sharma Seema Kesar Neha Chauhan Mansi Madan Source Type: research