"Novel Methods and Emerging Targets in Drug Discovery & Patented Drug Development" baudrugdesign2022
Scientific Program

15 DECEMBER 2022 – B CONFERENCE HALL, BESIKTAS, ISTANBUL
08:00-09:30 Registration
09:30-10:00 Opening Ceremony
10:00-10:30 Canan ATILGAN
Sabancı University		 Teaching Old Drugs New Tricks: Protein Dynamics in the Limelight
10:30-11:00 COFFEE BREAK
SESSION-I
Chairs: Aylin BALCI ÖZYURT, Bülent ÖZPOLAT
11:00-11:30 Thierry LANGER
University of Vienna		 Pharmacophore Models: Useful Tools for Bio-active Compound Identification, Optimization, and Profiling
11:30-11:45 Berna DOĞAN
Bahçeşehir University		 Machine learning approaches to quantitatively predict selectivity of compounds against hDAC1 and hDAC6 isoforms
11:45-12:00 Bircan DİNÇ
Bahçeşehir University		 The Effects of Monoamine Oxidase-B Inhibitors in Caenorhabditis Elegans Models of Parkinson's Disease
12:00-12:15 Kader ŞAHİN
Bahçeşehir University		 Hybrid In Silico and TR-FRET-Guided Discovery of Novel BCL‑2 Inhibitors
12:15-12:30 Malgorzata POCZOPKO
NanoTemper		 Small Molecule Effectors of the MYC/MAX Oncogene
12:30 – 13:30 LUNCH
SESSION-II
Chairs: Berna DOĞAN, Bircan DİNÇ
13:30-14:00 Gebhard SCHERTLER
Paul Scherrer Institut		 GPCR signaling in vision and molecular pharmacology
14:00-14:30 Hasan DEMİRCİ
Koç University		 Bright Future of New Generation Drug Design in Türkiye
14:30-15:00 Bülent ÖZPOLAT
Houston Methodist Research Institute and Neil Cancer Center		 Identification or Novel Molecular Targets and Development of Targeted Therapeutics for aggressive Solid Cancers
15:00-15:08 OP-1: Alper Devrim ÖZKAN
Bahçeşehir University		 Do blade motions directly induce Piezo1 mechanotransduction? Evidence from fluorescence microscopy
15:08-15:16 OP-2: İsmail EROL
Bahçeşehir University		 Atomic Details of Angiotensin II Type 1 and Type II Heterodimers
15:16-15:24 OP-3: Ahmet Emin TOPAL
Bahçeşehir University		 Investigation of ring-shaped supramolecular oligomer structures of rhodopsin proteins
15:24-15:32 OP-4: Pinar SİYAH
Bahçeşehir University		 Discovery of Promising Small Molecules Inhibiting the PD1/PDl1 Mechanism in Cancer: Three Different Approaches, One Common Goal
15:32-15:40 OP-5: Göknur GİNER
University of Melbourne		 Rapidly Advancing CRISPR Systems Hold a Great Potential in Research on Drug Targets
15:40-16:00 COFFEE BREAK
SESSION-III
Chairs: Kader ŞAHİN, Pınar SİYAH
16:00-16:20 Uğur BOZKAYA
Hacettepe University		 Linear-Scaling Systematic Molecular Fragmentation Molecular Fragmentation Approach for High-Level Coupled-Cluster Methods: Applications to Protein-Ligand Interactions
16:20-16:40 Abdulkadir KOÇAK
Gebze Technical University		 Application of ANI-ML potentials in drug discovery
16:40-17:00 Enes Seyfullah KOTİL
Bahçeşehir University		 The drug-isolate-fold change-based artificial neural network model predicts the resistance profiles of the HIV-1 protease inhibitors
17:00-17:20 Abdulilah ECE
Biruni University		 Assessing the reliability of computational modeling studies
17:20-17:28 OP-6: N. İpek KIRMIZI SÖNMEZ
Bahçeşehir University		 Drug Utilization in Turkish Children: A Systematic Review of Observational Studies
17:28-17:36 OP-7: Ofcan OFLAZ
Lokman Hekim University		 Analyzing of Efavirenz Resistance of Some Reverse Transcriptase Mutations by In-Silico Method
17:36-17:44 OP-8: Şeniz ÖZALP-YAMAN
Atılım University		 Anticancer investigation of platinum and copper-based complexes containing quinoxaline ligands
17:44-17:52 OP-9: Saima IKRAM
Çanakkale Onsekiz Mart University		 Screening of small molecule libraries using combined text mining, ligand- and target-driven based approaches for identification of novel granzyme H inhibitors
17:52-18:00 OP-10: Saliha SÜRME
Koç University		 TW68, stabilizes the Cryptochromes, controls hunger blood glucose level in ob/ob and fat induced mice
18:00-19:00 POSTER PRESENTATIONS-I
16 DECEMBER 2022, FRIDAY - B CONFERENCE HALL, BESIKTAS, ISTANBUL
SESSION-IV
Chairs: Andreas BENDER, Zohreh HOSSEINZADEH
09:15-9:45 Zoe COURNIA
Biomedical Research Foundation, Academy of Athens		 Predicting protein-membrane interfaces using ensemble machine learning and molecular simulations
09:45-10:15 Ramazan ALTUNDAŞ
Gebze Technical University		 The synthesis of ibrutinib and its intermediates
10:15-10:30 Özge ŞENSOY
İstanbul Medipol University		 Hidden and underestimated modulators of protein function: Posttranslational Modifications
10:30-10:45 Necla BİRGÜL İYİSON
Boğaziçi University		 GPCRs as next-generation pesticides
10:45-11:15 COFFEE BREAK
SESSION-V
Chairs: Özge ŞENSOY, Ramazan ALTUNDAŞ
11:15-11:45 Andreas BENDER
University of Cambridge		 Artificial Intelligence in Drug Discovery 2022 – Aspects of Data, Validation, and Translation
11:45-12:15 Zohreh HOSSEINZADEH
University of Leipzig		 Can we restore vision in blind eye?
12:15-12:40 Timuçin AVŞAR
Bahçeşehir University		 Development of Novel Bcl-2 inhibitors for glioblastoma
12:40-13:30 LUNCH
SESSION VI
Chairs: Avia ROSENHOUSE-DANTSKER, Timuçin AVŞAR
13:30-14:00 Thomas MAVROMOUSTAKOS
University of Athens		 The polydynamic capacity of AT1 antagonists as drugs
14:00-14:30 Devrim GÖZÜAÇIK
Koç University		 Discovery of new regulators of autophagy in cancer and their evaluation as drug targets in cancer development, metastasis and relapse
14:30-15:00 Tuğba BAĞCI ÖNDER
Koç University		 Overcoming cancer chemoresistance with epigenetic approach
15:00-15:30 Johannes KIRCHMAIR
University of Vienna		 In silico methods for flagging compounds that are likely to interfere with biological assays
15:30-16:00 COFFEE BREAK
SESSION VII
Chairs: Devrim GÖZÜAÇIK, Tuğba BAĞCI ÖNDER
16:00-16:30 Avia ROSENHOUSE-DANTSKER
Illinois University Chicago		 The story of an anomaly: the effect of cholesterol on atrial and hippocampal Kir3 channels
16:30-16:50 Murat Alper CEVHER
Bilkent University		 The 30-subunit Mediator coactivator complex and its connection to cancer
16:50-17:10 Antoine MARION
Middle East Technical University		 The role of multiscale molecular modelling in rational drug design
17:10-17:40 Woody SHERMAN
Psivant Therapeutics		 Integrated molecular design: From fingerprints and QSAR models through binding free energy simulations and conformational modulation
17:40-18:15 SHORT TALKS-I (5 minutes each)  
  Short Talk-1: Feyza MADEN A Comprehensive Drug Repositioning Approach Against Melanoma
  Short Talk-2: Mine İSAOĞLU A Hierarchical Virtual Screening of the NCI Compound Library Reveals Novel and Potent Allosteric Inhibitors of the Oncogenic Phosphatase SHP-2 with Potential Anticancer Activity
  Short Talk-3: Khaled A. N ABURSHARKH Investigation of Potential Candidates as FOXM1 Inhibitors for the Treatment of Triple Negative Breast Cancer by In silico and In vitro Studies: A Drug Repurposing Study
  Short Talk-4: Mustafa Erdem SAĞSÖZ Structural examination of an otopetrin-like proton channel in crayfish ganglia
  Short Talk-5: Mustafa YILDIRIM A Study In Silico on Aldolase C as a New Treatment Target in Colorectal Cancer
  Short Talk-6: Nezahat Gökçe ÖZSAMUR Selective Downregulation of Gene Expression in Hypoxic Cancer Cells by an Activatable G-Quadruplex Stabilizers
  Short Talk-7: Muhammet Zahit ÇELİK The Effect of Hydroxychloroquine in Enos System
18:15-19:20 POSTER PRESENTATIONS-II
17 DECEMBER 2022, SATURDAY - B CONFERENCE HALL, BESIKTAS, ISTANBUL
SESSION VIII
Chairs: Bert De GROOT, Nurcan TUNÇBAĞ
09:15-09:45 Kemal YELEKÇİ
Kadir Has University		 Designing of Isoform-Selective Novel Inhibitors Against Class IIA Histone Deacetylases Utilizing Molecular Modeling and In Silico Screening
09:45-10:15 Mine YURTSEVER
İstanbul Technical University		 DNA Binding Simulations of Antineoplastic Drugs
10:15-10:40 Serdar DURDAĞI
Bahçeşehir University		 Virtual Screening of Ultra Large Molecule Libraries Targeting Y-Box Binding Protein for Targeted Treatment of Ovarian Cancer
10:40-11:00 COFFEE BREAK
SESSION IX
Chairs: Kemal YELEKÇİ, Mine YURTSEVER
11:00-11:30 Bert De GROOT
The University of Göttingen		 Relative and absolute alchemical protein-ligand binding free energies
11:30-11:50 Nurcan TUNÇBAĞ
Koç University		 Network Medicine: Leveraging Integrated Connections of Multi-Omic Data
11:50-12:10 Gizem DİNLER DOĞANAY
Istanbul Technical University		 Druggable peptide design and synthesis to inhibit anti-apoptotic pathways targeting critical protein-protein interactions in cancer
12:10-12:18 OP-11: Öznur EYİLCİM
Yıldız Technical University		 Bioactive Drug Candidate New Molecule Synthesis
12:18-12:26 OP-12: Yüksel ÇETİN
TUBITAK MAM		 Investigation of the antiviral and immunomodulatory effects of Zingiber officinale upon SARS-CoV-2 infection using in vitro airway cells culture model
12:30-13:30 LUNCH
SESSION X
Chairs: Gülşah Selin AKYÜZ, N. İpek SÖNMEZ
13:30-14:00 Ahmet GÜL
İstanbul University		 Targeting Inflammasome Components for the Treatment of Autoinflammatory Disorders
14:00-14:30 Erden BANOĞLU
Gazi University		 A journey from selective FLAP inhibitor to selective mPGES-1 inhibitor: A new therapeutic modality for reducing inflammation and pain
14.30-14.38 OP-13: Ömer AYDIN
Erciyes University		 Delivery of Autophagy Inhibitor siRNA with "smart" Nanoparticles against Triple Negative Breast Cancer
14.38-14.46 OP-14: Bengisu TURGUTALP
German Centre for Neurodegenerative Diseases		 Discovery of Potent Cholinesterase Inhibition-Based Multi-Target-Directed Lead Compounds for Synaptoprotection in Alzheimer's Disease
14.46-14.54 OP-15: Kaan BİRGÜL
Bahçeşehir University		 Naproxen derivatives: model compound in prostate cancer
14.54-15.02 OP-16: Bahadır BÜLBÜL
Düzce University		 Asymmertric synthesis methods
15.02-16.00 COFFEE BREAK
SESSION XI
Chairs: Ahmet Emin TOPAL, Alper Devrim ÖZKAN
16:00-16:30 Adil MARDİNOĞLU
King's College London		 The use of systems biology in development of drug candidates
16:30-16:50 Emel TİMUÇİN
Acıbadem Mehmet Ali Aydınlar Unıversıty		 Brave New Surfactant World Revisited by Thermoalkalophilic Lipases: SDS as a Potential Substrate Analog
16:50-16:58 OP-17: Lalehan OKTAY/M. Didem ORHAN
Bahçeşehir University		 Virtual Screening for Novel Small Molecule Inhibitors Against IL-17A Downstream Signaling for the Treatment of Multiple Sclerosis
16:58-17:06 OP-18: Ebru Nur AY
İstinye University		 Investigation of the Effect Of TGF-ß Signaling Regulation on Cytotoxic Activity of Irinotecan in Colorectal Cancer
17:06-17:14 OP-19: Ebru ÇETİN
Sabancı University		 Mechanistic View of Proglumetacin Binding to Dihydrofolate Reductase: A Drug Repurposing Study
17:14-17:22 OP-20: Büşra YILDIRIM
Koç University		 Development and Characterization of Selective HDAC6 Inhibitors for the Treatment of Castration Resistant Prostate Cancer and Reversal of Taxane Resistance
17:25-18:30 SHORT TALKS-II (5 minutes each)  
  Short Talk-8: Gizem KURŞUNLUOĞLU Development of Gold Nanoparticle Conjugated Drug Delivery Systems for
Ovarian Cancer Treatment
  Short Talk-9: Salma GHAZY Virtual Screening of Small Molecule Libraries Against ERCC1-XPF for the Identification of Potent Inhibitors
  Short Talk-10: Serhat DÖNMEZ Selagibenzophenone Derivatives as novel dual Topoisomerase I/II inhibitors: In vitro biological evaluation and in silico approaches
  Short Talk-11: Zeynep DEMİRSOY NisPec stabilized gold nanospheres as a detoxifier for toxic compounds and
antimicrobial for pathogens
  Short Talk-12: Mısra YAMANSAVAŞÇILAR NAGANLU Exploring Drug Loading and Release Capacities of Hexagonal Boron Nitrides
(hBNs) in Cancer Treatment
  Short Talk-13: Melike BERKSÖZ Rational Design Strategy for a Genetically Encoded Iron Biosensor
  Short Talk-14: Nazar DOKUMACI Synthesis, Structure Elucidation and Molecular Docking Studies of Novel
Thiosemicarbazide Derivatives
  Short Talk-15: Faika BAŞOĞLU ÜNAL A novel 4-thiazolidinone derivative induces cell death in hepatocellular
carcinoma cells: in vitro assay, molecular docking, and ADME studies
  Short Talk-16: Malik YOUSEF Drug-Gene Interaction-based Pre-Existing Biological Knowledge
  Short Talk-17: Sahila JABRAYİLOVA Paclitaxel-loaded Graphene Nanocarriers with Antidot Nanoholes
  Short Talk-18: Miray TÜRK Interaction Surface of Bcl-2 and Beclin 1 was Revealed by Mass Spectrometry
  Short Talk-19: Gülcihan GÜLSEREN Development of Peptide Nanofiber Antiviral Treatment
  Short Talk-20: Serkan ÖNCÜOĞLU Synthesis of Beta-Carboline derivatives
  Short Talk-21: Ahmet Çağan Design of Tomentosin Moiety Sulfamide Derivatives and Investigation on Their Interaction with Anticancer-related Enzyme Topimerase II via In silico Approaches
18:30-19:00 CLOSING CEREMONY
BEST PAPER PRESENTATIONS – BEST ORAL PRESENTATIONS AND BEST POSTER PRESENTATIONS AWARDS

WORKSHOP-I: Ligand-based virtual screening-Neural Network-Based QSAR Modeling
WEDNESDAY (14 DECEMBER 2022) 10:00-12:00 BAU Göztepe Campus (Sahrayı Cedid Mah. Batman Sok. No:66, Kadıköy, İstanbul)

WORKSHOP-II: Target-driven based Drug Repurposing -Ligand Docking
WEDNESDAY (14 DECEMBER 2022) 13:00-15:00 BAU Göztepe Campus (Sahrayı Cedid Mah. Batman Sok. No:66, Kadıköy, İstanbul)

WORKSHOP-III: Data-Mining and Pathway Analysis (MetaCore, Upto 3 days evaluation license will be provided for the participants)
WEDNESDAY (14 DECEMBER 2022) 15:00-17:00 BAU Göztepe Campus (Sahrayı Cedid Mah. Batman Sok. No:66, Kadıköy, İstanbul)

Announcements
  • The congress will be held on December 15-17, 2022 at the BAU-Besiktas Campus, Istanbul
  • Abstract Submission Deadline
    November 1, 2022
  • Congress Dates
    December 15-17, 2022
  • Congress Location
    Istanbul, Turkey
  • Congress Organiser
    Bahcesehir University (BAU)
Online Abstract Submission
Registration
General Information
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