Search Results
ICDD 2020: Computer Aided Drug Design

International Conference on Drug Discovery (ICDD) 2020Logo

ICDD 2020 Tracks:

Back to the complete ICDD 2020 proceedings

40 Total downloads

Viewing: 1 - 50 of 127 papers

1.

In Silico Design, Synthesis and Anticancer Activity of 3′-(4-(Benzyloxy)phenyl)-1′-Phenyl-5-(Pyridin-4-Yl)-3,4-Dihydro-1’H, 2H-3,4′-Bipyrazole as Potential EGFR Kinase Inhibitors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 23 Feb 2020
Working Paper Series
Medicinal Chemistry and Molecular Modelling Lab, Dept. of Pharmaceutical Chemistry, School of Pharmaceutical Education and Research, Jamia Hamdard, New Delhi 110062 and Hamdard Nagar - Jamia Hamdard
2.

Synthesis, Molecular Modelling and Biological Evaluations of Novel Trans-4-Amino-Proline Derivatives As Potential Cyclooxygenase-2 (Cox-2) Inhibitors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 20 Feb 2020
Working Paper Series
Netaji Subhashchandra Bose Arts, Commerce and Science College and Dayanand Science College
3.

Study of Using Syzygium Samarangese Against Azole Resistant Candida Species- a Computational and Pharmacogenomic Approach

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 20 Feb 2020
Working Paper Series
Amrita School of Pharmacy, Amrita School Of Pharmacy and Amrita University - Amrita Vishwa Vidyapeetham

Multiple version iconThere are 2 versions of this paper

4.

In-Silico Screening and Design of Low Molecular Weight Cyclophilin-A Inhibitors That Assist HIV-1 Capsid Assembly

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 20 Feb 2020
Working Paper Series
Osmania University (OU) and Osmania University (OU) - College of Science
5.

An Update on the Management of Urinary Tract Infections in an Era of Drug Resistance: Anti-Biofilm Strategy

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 20 Feb 2020
Working Paper Series
Shri Shivaji Mahavidyalaya Barshi and Dayananda Sagar College of Arts, Science and Commerce

Multiple version iconThere are 2 versions of this paper

6.

Design and Development of Dengue Protease Inhibitors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 20 Feb 2020 Last Revised: 02 Mar 2020
Working Paper Series
Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology, BIT Mesra, Department of Pharm. Sci & Tech., Independent and Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology
7.

Mechanistic Aspects of Isoform Selectivity in Janus Kinases

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
Central University of Rajasthan , India
8.

Conserved Glycoprotein Sequence Recognition for Modelling of Antiretroviral Drug Candidates

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
University of Rajasthan and University of Rajasthan
9.

Structural Features Underlying the Activity of Benzimidazole Derivatives that Target Phosphopeptide Recognition by the Tandem BRCT Domain of the BRCA1 Protein

https://doi.org/10.1002/cmdc.201900300, Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Accepted Paper Series
Independent, Institute for Stem Cell Science and Regenerative Medicine (inStem) - CCBT, Institute for Stem Cell Science and Regenerative Medicine (inStem), Institute for Stem Cell Science and Regenerative Medicine (inStem), Institute for Stem Cell Science and Regenerative Medicine (inStem), Independent, Howard Hughes Medical Institute (HHMI) - Chevy Chase - Janelia Research Campus, Institute for Stem Cell Science and Regenerative Medicine (inStem), Institute for Stem Cell Science and Regenerative Medicine (inStem), Institute for Stem Cell Science and Regenerative Medicine (inStem), InStem, CCBT and Institute for Stem Cell Science and Regenerative Medicine (inStem) - CCBT
10.

Structural Dynamics of Cabozantinib Bound TAM Receptor Tyrosine Kinases

Naresh, G. K. R. S.; Guruprasad, L., Enhanced metastable state models of TAM kinase binding to cabozantinib explains the dynamic nature of receptor tyrosine kinases. Journal of Biomolecular Structure and Dynamics 2020, 1-20., Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Accepted Paper Series
School Of Chemistry, University Of Hyderabad and School Of Chemistry, University Of Hyderabad
11.

Computational Screening and Validation of Suitable Natural Compounds Against Peripheral Metabolism of L-Dopa: An Alternative Approach Towards Treatment of Parkinson’s Disease

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
Department of Bioinformatics, Odisha University of Agriculture and Technology and Ravenshaw University - School of Life Sciences
12.

Evaluating the Role of Diverse Substitutions on Nitrogen-Containing Heterocyclic Scaffold Based on CADD and Biological Studies for Alzheimer’s Disease

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
K. M. Kundnani College of Pharmacy, K. M. Kundnani College of Pharmacy and Prin K M kundnani College of Pharmacy
13.

Insights of Novel Anti-Inflammatory Drugs Targeting Phosphodiesterase and Their Characterization: An In-Silico and In-Vitro Approach

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
CAS in Crystallography and Biophysics, University of Madras, Department of Plant Biology and Plant Biotechnology, Presidency College (Autonomous), Independent, Independent, Independent, Independent, Independent and CAS in Crystallography and Biophysics,University of Madras
14.

Insight Into Designing of Renin Inhibitors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
Oxbridge College of Pharmacy, Annamalai University - Department of Pharmacy, JSS Academy of Higher Education and Research - Department of Pharmaceutical Chemistry and Oxbridge College of Pharmacy
15.

Molecular Structure and Antioxidant Activity of Phenoxy Thiazole Derivative: Experimental and Computational Studies

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
DoS in Physics, University of Mysore, DoS in Physics, University of Mysore, University of Mysore, DoS in Physics, University of Mysore, DoS in Physics, University of Mysore, DoS in Physics, University of Mysore and DoS in Physics, University of Mysore
16.

Targeting of Progesterone Receptor Membrane Component 1 to Combat Lung Adenocarcinoma

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 19 Feb 2020
Working Paper Series
SRM Institute of Science and Technology and SRM Institute of Science and Technology
17.

Targeting the Catalytically Important Residues Based on Combined Atom Based Qsar, Pharmacophore Development, DFT and Molecular Dynamics Studies Using Thiamine Analogs Against Human Transketolase Like Protein 1 (TKTL1)

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 18 Feb 2020
Working Paper Series
Alagappa University and Department of Bioinformatics, Alagappa University
18.

Exploring the Druggablity of Novel Small Molecules that Targets TFF3, Hyaluronidase, and Jak-Stat3 Pathway in in Vivo Cancer and Functional Remyelination Models

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 18 Feb 2020
Working Paper Series
University of Mysore
19.

Proposing The Promiscuous Protein Structures In Family of Human Kinases For Virtual Screening In Pursuit Of Potential Leads

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 18 Feb 2020 Last Revised: 19 Feb 2020
Working Paper Series
CAS in Crystallography and Biophysics,University of Madras, CAS in Crystallography and Biophysics,University of Madras and CAS in Crystallography and Biophysics,University of Madras
20.

Insilico Approach for Identification of Novel Inhibitors Against SRNA9 Protein

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 18 Feb 2020
Working Paper Series
Dept. of Chemistry, Nizam College, Osmania University
21.

Insilco Analysis and Identification of Biosurfactants Effects on E. Coli K12 Proteins to Inhibit Biofilm

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 18 Feb 2020
Working Paper Series
Siksha 'O' Anusandhan (Deemed to be University) and Siksha 'O' Anusandhan (Deemed to be University)
22.

Crystal Structures of Nucleoside Di Phosphate Kinase From Acinetobacter Baumannii and Pseudomonas Aeruginosa

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 14 Feb 2020
Working Paper Series
All India Institute of Medical Sciences (AIIMS), Independent, Independent, Independent and Independent
23.

Structural Characterization of Aspartic Proteases Involved in Invasion and Egress of Apicomplexan Pathogens P. Falciparum and T.gondii

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020
Working Paper Series
IIT Bombay, Indian Institute of Technology (IIT), Bombay - Department of Biosciences and Bioengineering, Independent, Indian Institute of Technology (IIT), Bombay - Department of Biosciences and Bioengineering, Indian Institute of Technology (IIT), Bombay - Department of Biosciences and Bioengineering, University of Guelph - Department of Molecular and Cellular Biology, Government of the United States of America - Protein Structure Section, Government of the United States of America - Protein Structure Section, University of British Columbia (UBC) - Faculty of Land and Food Systems and Indian Institute of Technology (IIT), Bombay - Department of Biosciences and Bioengineering
24.

Structural Analysis and Identification of Potential Inhibitors for Phosphophoglucosamine Mutase From Mycobacterium Tuberculosis

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020 Last Revised: 20 Feb 2020
Working Paper Series
University of Hyderabad - Department of Biotechnology and Bioinformatics and University of Hyderabad
25.

Structural Insights in Designing Spice Derivatives Against Alzheimer’s Disease Through Computational In Silico Approaches

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020
Working Paper Series
ICAR-Indian Institute of Spices Research - Division of Crop Production and Post Harvest Technology, ICAR-Indian Institute of Spices Research - Division of Crop Protection and ICAR-Indian Institute of Spices Research - Division of Crop Production and Post Harvest Technology
26.

Designing Potent Inhibitors for Survivin Protein

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020
Working Paper Series
The Red-Green Research Centre, The Red-Green Research Centre, The Red-Green Research Centre, University of the Ryukyus - Department of Bioscience and Biotechnology and The Red-Green Research Centre
27.

Insights from Molecular Dynamic Simulation Toward Molecular Mechanism of Mmv007571 to Exploit New Trend of Multitarget Inhibitors of Plasmodium Falciparum

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020
Working Paper Series
Birla Institute of Technology, Mesra and Birla Institute of Technology, Mesra
28.

Unraveling the Role of the Transcriptional Regulator VirS in Low pH-Induced Responses of Mycobacterium Tuberculosis and Identification of VirS Inhibitors

Journal of Biological Chemistry (2019), 294(26), 10055-10075. , Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020
Working Paper Series
University of Delhi South Campus, University of Delhi South Campus, University of Delhi South Campus and University of Delhi South Campus
29.

Synthesis, In Silico Study and Biological Evaluation of Novel Thiazolidine-4-One Derivatives as Anticancer Agents

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020
Working Paper Series
Independent
30.

Catechol Based Urease Inhibitors as Potential Candidates to Treat Helicobacter Pylori Infection: An In-Silico Approach

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 13 Feb 2020
Working Paper Series
CV Raman College of Engineering, Rajendra College, APS College, Sambalpur University and Gangadhar Meher University
31.

Molecular Docking Studies of Novel 2-Aminothiophene Derivatives for the Treatment of Alzheimer’s Disease

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 12 Feb 2020
Working Paper Series
Independent and Amrita School Of Pharmacy
32.

Targeting INSM1 in Order to Prevent the Growth of Small Cell Lung Cancer

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 12 Feb 2020
Working Paper Series
Indian Institute of Information Technology, Allahabad, Indian Institute of Information Technology (IIIT), Allahabad, Indian Institute of Information Technology (IIIT), Allahabad and Indian Institute of Information Technology (IIIT), Allahabad
33.

Understanding Drug Resistance Mechanism of NS3/4A Protease of HCV Using Comparative Molecular Dynamics Simulation

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 12 Feb 2020
Working Paper Series
Indian Institute of Information Technology,Allahabad, Indian Institute of Technology Roorkee, Indian Institute of Information Technology (IIIT), Allahabad and Indian Institute of Information Technology (IIIT), Allahabad
34.

Polypharmacological Drug Repurposing Approach to Target Mycobacterium Tuberculosis

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 12 Feb 2020
Working Paper Series
Jamia Hamdard, Safdarjung Hospital - National Institute of Pathology, Safdarjung Hospital - National Institute of Pathology, Safdarjung Hospital - National Institute of Pathology, Safdarjung Hospital - National Institute of Pathology and Indian Institute of Technology (IIT), Delhi
35.

Promising Selectivity and Potency of Phenyl Methylene Hydantoin & Rhodanine As Effective Pharmacophore

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 12 Feb 2020
Working Paper Series
Medi-Caps University - Faculty of Pharmacy, Chameli Devi Institute of Pharmacy and Medi-Caps University - Faculty of Pharmacy
36.

QSAR Study on the Purine Nucleoside Phosphorylase Inhibitors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 12 Feb 2020
Working Paper Series
Independent, Independent and Manipal Academy of Higher Education
37.

GABAA Receptor-Benzodiazepine Binding Site Interaction Analysis of 9Hxanthen- 9-One Derivatives – A Molecular Docking and Dynamic Simulation Study

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 12 Feb 2020
Working Paper Series
PSG College of Pharmacy and PSG College of Pharmacy
38.

Computational Evaluation of 1, 1′-[(E)-Ethene-1, 2-Diyl] Dibenzene Derivatives As Modulators of GABAA Receptors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 12 Feb 2020
Working Paper Series
PSG College of Pharmacy and PSG College of Pharmacy
39.

In-Silico Docking and Mutagenesis Studies Reveal Novel Epitopes Involved in the Interaction of Ipilimumab and Tremelimumab with Physiologically Relevant CTLA-4 Homodimer

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 12 Feb 2020
Working Paper Series
Netaji Subhas University of Technology (formerly NSIT), Netaji Subhas University of Technology (formerly NSIT) and Netaji Subhas University of Technology (formerly NSIT)
40.

Design and Development of Dengue NS5 Methyltransferase Inhibitors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020
Working Paper Series
BIT Mesra, BIT Mesra, BIT Mesra and Department of Pharm. Sci & Tech.
41.

Discovery and Synthesis of Pyrazole Derivatives As Anticancer Agent by Molecular Modelling

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020
Working Paper Series
Independent
42.

Design and Development of Hybrid Inhibitor to Synchronously Act on Four Biochemically Distinct Target for Suppression of Tumor Growth in Synergistic Manner.

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020
Working Paper Series
Independent and Independent
43.

Computer Aided Drug Discovery of P21 Activated Kinase 1 Protein of Hepatitis C

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020
Working Paper Series
Christ College, Rajkot, Christ College, Rajkot and Christ College, Rajkot
44.

In Silico Approach for the Identification of Potential Phytochemical Inhibitors of B-RAF in Papillary Thyroid Cancer

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020
Working Paper Series
Christ College, Rajkot, Christ College, Rajkot, Christ College, Rajkot, Christ College, Rajkot and Ashok and Rita Patel Institute of Integrated Study and Research in Biotechnology & Allied Sciences
45.

Exploring the Structural Aspects of Ureido Amino Acid-Based APN Inhibitors through Validated Comparative Regression and Classification Based Molecular Modeling Studies

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020
Working Paper Series
Jadavpur University - Department of Pharmaceutical Technology, Jadavpur University, Kolkata, Jadavpur University - Pharmaceutics Research Laboratory, Jadavpur University - Department of Pharmaceutical Technology and Jadavpur University - Department of Pharmaceutical Technology
46.

Schrodinger Suite Based Molecular Docking Studies of Metabolites Isolated From Endophytic Fungi for Multi-Target Therapy

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020 Last Revised: 14 Feb 2020
Working Paper Series
University of Mysore - Department of Studies in Microbiology and University of Mysore - Department of Studies in Microbiology
47.

Predicting Lead Structure(s) for Molecular Library Screening Using Molecular Docking and Quantum Crystallography

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020
Working Paper Series
Shiv Nadar University - Department of Chemistry and Shiv Nadar University - Department of Chemistry
48.

Molecular Docking, 3D-QSAR, Fingerprint-Based 2D-QSAR Analysis of Pyrimidine Analogues of ALK Inhibitors As an Anticancer Agent

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 11 Feb 2020
Working Paper Series
Delhi Pharmaceutical Sciences and Research University, Delhi Pharmaceutical Sciences and Research University and Delhi Pharmaceutical Sciences and Research University
49.

Sequence Optimization of Anti-CD3 Pratopes for T-Cell Activation

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 10 Feb 2020 Last Revised: 05 Mar 2020
Working Paper Series
Netaji Subhas University of Technology and Netaji Subhas University of Technology (formerly NSIT)
50.

Multi-dimensional QSAR Studies on Aurora-A kinase Inhibitors

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 10 Feb 2020
Working Paper Series
Smt. Kashibai Navale College of Pharmacy and Smt. Kashibai Navale College of Pharmacy