Background: Obesity is well known multifactorial disorder towards the public health concern in front of the world. Increasing rates of obesity are characterized by liver diseases, chronic diseases, diabetes mellitus, hypertension and stroke, improper function of the heart, reproductive and gastrointestinal diseases, and gallstones. An essential enzyme pancreatic lipase recognized for the digestion and absorption of lipids can be a promising drug target towards the future development of antiobesity therapeutics in the cure of obesity disorders.
Objective: The purpose of present study is to identify an effective potential therapeutic agent for the inhibition of pancreatic lipase.
Methods: A trio of in-silico procedure of HTVS, SP and XP in Glide module, Schrodinger with default parameters, was applied on Specs databases to identify the best potential compound based on receptor grid. Finally, based on binding interaction, docking score and glide energy, selected compounds were taken forward to the platform of IFD, ADME, MMGBSA, DFT, and MDS for analyzing the ligands behavior into the protein binding site.
Results: Using in silico protocol of structure-based virtual screening on pancreatic lipase top two compounds AN-465/43369242 & AN-465/43384139 from Specs database were reported. The result suggested that both the compounds are competitive inhibitors with higher docking score and greatest binding affinity than the reported inhibitor.
Conclusion: We anticipate that results could be future therapeutic agents and may present an idea toward the experimental studies against the inhibition of pancreatic lipase.
Keywords: Obesity, pancreatic lipase, virtual screening, docking, simulation, ADME.
Role of AMPK in Diabetic Cardiovascular Complications: An Overview
Cardiovascular & Hematological Disorders-Drug Targets Diabetic CVD – Soluble Epoxide Hydrolase as A Target
Cardiovascular & Hematological Agents in Medicinal Chemistry Current Status of Rho-Associated Kinases (ROCKs) in Coronary Atherosclerosis and Vasospasm
Cardiovascular & Hematological Agents in Medicinal Chemistry Editorial [Hot Topic: Ischemic Stroke in Very Old Patients (Guest Editor: Maria Cristina Zurru)]
Cardiovascular & Hematological Disorders-Drug Targets Hypotensive Effect of Hydroalcoholic Ziziphus jujuba Extract on Normotensive Rats
Current Nutrition & Food Science Biochemical and Pharmacologic Heterogeneity in Low Molecular Weight Heparins. Impact on the Therapeutic Profile
Current Pharmaceutical Design Editorial [ The Metabolic Syndrome: Revisiting the Concept, the Diagnosis and the Treatment (Part-II) Guest Editors: John H. McNeill and Vijay Sharma ]
Current Vascular Pharmacology Meet Our Regional Editor
Cardiovascular & Hematological Agents in Medicinal Chemistry Levosimendan: From Basic Science to Clinical Trials
Recent Patents on Cardiovascular Drug Discovery (Discontinued) Targeting the JNK Pathway for Therapeutic Benefit in CNS Disease
Current Drug Targets - CNS & Neurological Disorders Nuclear Membranes GPCRs: Implication in Cardiovascular Health and Diseases
Current Vascular Pharmacology Diastolic Heart Failure and LV Dyssynchrony
Current Pharmaceutical Biotechnology Triple-Valve Endocarditis in a Diabetic Patient: Case Report and Literature Review
Current Cardiology Reviews Stem Cells in Stroke Repair: Current Success & Future Prospects
CNS & Neurological Disorders - Drug Targets Vascular Adenosine Receptors; Potential Clinical Applications
Current Vascular Pharmacology A Cyclooxygenase-2 Inhibitor Reduces Vascular Wall Thickness and Ameliorates Cognitive Impairment in a Cerebral Small Vessel Diseases Rat Model
Current Alzheimer Research Prevalence of Vertebral Fractures, Vascular Calcifications, and Mortality in Warfarin Treated Hemodialysis Patients
Current Vascular Pharmacology Risk Factors and Mediators of the Vascular Dysfunction Associated with Hypertension in Pregnancy
Cardiovascular & Hematological Disorders-Drug Targets Dyslipidemia as a Risk Factor for Erectile Dysfunction
Current Medicinal Chemistry Hypertension and Diabetes: Emphasis on the Renin – Angiotensin System and Insulin Resistance
Current Hypertension Reviews