Spectroscopic, thermodynamic and molecular docking studies on molecular mechanisms of drug binding to proteins / / edited by Tanveer A Wani, Seema Zargar, Afzal Hussain.

• TeilnehmendeR: Wani, Tanveer A,; Zargar, Seema,; Hussain, Afzal,
• Place / Publishing House: [Place of publication not identified] : : MDPI - Multidisciplinary Digital Publishing Institute,, [2023]; ©2023
• Year of Publication: 2023
• Language: English
• Physical Description: 1 online resource (276 pages)

This book contains several articles where the molecular mechanisms and structural changes in target proteins on interaction with various viruses and bacteria were studied. In addition, drug-protein interactions, drug-drug interaction mechanisms, anti-Glycating, antioxidant, binding affinity, network pharmacology-driven investigations, and targeted anticancer treatments were also investigated.

Table of Contents

About the Editors -- Preface to "Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins" -- Tanveer A. Wani, Seema Zargar and Afzal Hussain Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins -- Md Amjad Beg, Shivangi, Obaid Afzal, Md Sayeed Akhtar, Abdulmalik S. A. Altamimi and Afzal Hussain et al. Potential Efficacy of β-Amyrin Targeting Mycobacterial Universal Stress Protein by In Vitro and In Silico Approach -- You-Gang Zhang, Xia-Xia Liu, Jian-Cheng Zong, Yang-Teng-Jiao Zhang, Rong Dong and Na Wang et al. Investigation Driven by Network Pharmacology on Potential Components and Mechanism of DGS, a Natural Vasoprotective Combination, for the Phytotherapy of Coronary Artery Disease -- Mohd Shahnawaz Khan, Majed S. Alokail, Amal Majed H. Alenad, Nojood Altwaijry, Nouf Omar Alafaleq and Abdulaziz Mohammed Alamri et al. Binding Studies of Caffeic and p-Coumaric Acid with α-Amylase: Multispectroscopic and Computational Approaches Deciphering the Effect on Advanced Glycation End Products (AGEs) -- AmanyBelal,MohamedA.Elanany,EmanY.Santali,AhmedA.Al-Karmalawy,MoustafaO. Aboelez and Ali H. Amin et al.Screening a Panel of Topical Ophthalmic Medications against MMP-2 and MMP-9 to Investigate Their Potential in Keratoconus Management -- Walaa F. Alsanie, Abdulhakeem S. Alamri, Hussain Alyami, Majid Alhomrani, Sonam Shakya and Hamza Habeeballah et al. Increasing the Efficacy of Seproxetine as an Antidepressant Using Charge-Transfer Complexes -- Seema Zargar, Tanveer A. Wani, Nawaf A. Alsaif and Arwa Ishaq A. Khayyat A Comprehensive Investigation of Interactions between Antipsychotic Drug Quetiapine and Human Serum Albumin Using Multi-Spectroscopic, Biochemical, and Molecular Modeling Approaches -- Abdulhakeem S. Alamri, Majid Alhomrani, Walaa F. Alsanie, Hussain Alyami, Sonam Shakya and Hamza Habeeballah et al. Enhancement of Haloperidol Binding Affinity to Dopamine Receptor via Forming a Charge-Transfer Complex with Picric Acid and 7,7,8,8-Tetracyanoquinodimethane for Improvement of the Antipsychotic Efficacy -- Mohd W. A. Khan, Ahmed A. Otaibi, Abdulmohsen K. D. Alsukaibi, Eida M. Alshammari, Salma A. Al-Zahrani and Subuhi Sherwani et al. Biophysical, Biochemical, and Molecular Docking Investigations of Anti-Glycating, Antioxidant, and Protein Structural Stability Potential of Garlic -- Seema Zargar and Tanveer A. Wani Protective Role of Quercetin in Carbon Tetrachloride Induced Toxicity in Rat Brain: Biochemical, Spectrophotometric Assays and Computational Approach -- Preeti Hooda, Mohd Ishtikhar, Shweta Saraswat, Pooja Bhatia, Deepali Mishra and Aditya Trivedi et al. Biochemical and Biophysical Characterisation of the Hepatitis E Virus Guanine-7-Methyltransferase -- TanveerA.Wani,MohammedM.Alanazi,NawafA.Alsaif,AhmedH.Bakheit,SeemaZargar and Ommalhasan Mohammed Alsalami et al. Interaction Characterization of a Tyrosine Kinase Inhibitor Erlotinib with a Model Transport Protein in the Presence of Quercetin: A Drug-Protein and Drug Drug Interaction Investigation Using Multi-Spectroscopic and Computational Approaches -- Mubashir Aziz, Syeda Abida Ejaz,SeemaZargar,NaveedAkhtar,AbdullahiTundeAborode and Tanveer A. Wani et al. Deep Learning and Structure-Based Virtual Screening for Drug Discovery against NEK7: A Novel Target for the Treatment of Cancer -- Anas Shamsi, Moyad Shahwan, Mohd Shahnawaz Khan,FahadA.Alhumaydhi,SulimanA. Alsagaby and Waleed Al Abdulmonem et al.Mechanistic Insight into Binding of Huperzine A with Human Serum Albumin: Computational and Spectroscopic Approaches -- Abu Hamza, Abdus Samad, Md. Ali Imam, Md. Imam Faizan, Anwar Ahmed and Fahad N. Almajhdi et al. Structural Characterization of Ectodomain G Protein of Respiratory Syncytial Virus and Its Interaction with Heparan Sulfate: Multi-Spectroscopic and In Silico Studies Elucidating Host-Pathogen Interactions.