Letters in Drug Design & Discovery

A Study on Leukemic and Non-small Cell Lung Cancer Efficacy of Novel Isoxazoles Synthesized by Microwave Irradiation

Volume:18
Mayank Pandya and Khushal Kapadiya*

Novel N-(2-Methoxydibenzofuran-3-yl)-2-aryloxyacetamide Derivatives: Synthesis and Biological Investigation

Volume:17
Leyla Yurttaş*, Betül Kaya Çavuşoğlu, Halide Edip Temel and Gülşen Akalın Çiftçi

Chitosan: A Promising Protective Component Against SARS-CoV-2 and Influenza Virus

Volume:17
Mohammad Reza Rahbar, Hadi Esmaeili Gouvarchin Galeh, Saeed Khalili and Abolfazl Jahangiri*

Pharmacophore-based screening for identification of Human Acyl-CoA cholesterol acyltransferase inhibitors: An in-silico study

Volume:18
Ankit Dhaundiyal*, Puja Kumari and Shasta Kalra

Fragment-Based Drug Design of Antitumoral Molecules Polo-like kinase 1 inhibitors: in-silico approach

Volume:18
Ayoub Attoui, Widad Sobhi, Nour El Houda Hammoudi and Yacine Benguerba*

Computer-aided Structural and Molecular Insights into the Mechanisms by which Pseudouridimycin (PUM) Disrupts Cleft Extension in Bacterial RNA Polymerase to Block DNA Entry and Exit

Volume:17
Ali H. Rabbad, Fisayo A. Olotu and Mahmoud E. Soliman*

QSAR Studies on the IC50 of A Class of Thiazolidinone/Thiazolide Based Hybrids as Antitrypanosomal Agents

Volume:17
Bo Yang, Hongzong Si* and Honglin Zhai

Bioactive Isolates of Morus Species as Antibacterial Agents and their in-silico Profiling

Volume:17
Aditya Rao*, Venugopal T.M, Jayanna N.D, Paramesha Mahadevappa and Ramesh C.K

Immunoinformatic Approach for the Identification of Potential Epitopes Against Stenotrophomonas maltophilia: A Global Opportunistic Pathogen

Volume:17
R. B. Pragathi and Shobana Sugumar*

Stachydrine Inhibits PC12 Cell Apoptosis Induced by Aβ25-35 in an in vitro Cell Model of Neurocognitive Disorders

Volume:17
Huan Fu, Mei Liu, Jinxiu Yan, Na Zhao and Liangchao Qu*

Diagnostic, Prognostic and Therapeutic Potential of Heat Shock Proteins in Schistosomiasis and Bladder Cancer: A Review

Volume:18
Ndibonani Kebonang Qokoyi, Priscilla Masamba, Geraldene Munsamy and Abidemi Paul Kappo*

Synthesis and Enzymological Characterization of Some 2- (Substitutedphenylamino)quinazolin-4(3H)-one Derivatives as Potent αGlucosidase Inhibitors In vitro

Volume:18
Emre Kadir Ayan, Zeynep Soyer* and Şirin Uysal

Exploring Nature’s Treasure to Inhibit β-Barrel Assembly Machinery of Antibiotic Resistant Bacteria: An In-Silico Approach

Volume:18
Shalja Verma and Anand Kumar Pandey*

New Viral Infection COVID-19: Current Status, Challenges and Possible Treatments

Volume:18
Vipan Kumar, Amruta Suryan, Jyoti Singh*, Sandeep Kumar, Pradeep Kamboj and Aakash Deep

Current scenario of COVID-19

Volume:18
Priyank Purohit*, Ravi Kumar Mittal and Kanika Bhatt

Synthesis, Cytotoxicity, Antioxidant and Antimicrobial Activity of Indole Based Novel Small Molecules

Volume:17
Aslıhan Kurt-Kızıldoğan, Çiğdem Otur, Can Yılmaz, Sevki Arslan, Dogukan Mutlu, Arif Kivrak*, Muheb Algso, Abdussamet Kayhan, Doğan Çetin and Metin Konus*

Design and Efficient Synthesis of Novel 4,5-Dimethylthiazole-Hydrazone Derivatives and their Anticancer Activity

Volume:17
Asaf Evrim Evren*, Leyla Yurttaş, Büşra Ekselli, Mehmet Onur Aksoy and Gülşen Akalin-Çiftçi

Potential Inhibition of COVID-19 RNA-dependent RNA Polymerase by Hepatitis C Virus Non-nucleoside Inhibitors: An In-silico Perspective

Volume:17
Yee Siew Choong, Theam Soon Lim, Hanyun Liu, Rubin Jiang, Zimu Cai and Yuan Ge*

Design, Synthesis, and Biological Evaluation of Novel Tetramethylpyrazine- nitrone Derivatives as Sntioxidants

Volume:17
Haiyun Chen*, Chunyan Yan*, Jie Cao, Zheng Liu, Yewei Sun and Yuqiang Wang

Design and Synthesis of Novel 5-Arylisoxazole-1,3,4-thiadiazole Hybrids as α-Glucosidase Inhibitors

Volume:17
Mina Saeedi, Azadeh Eslami, Seyedeh Sara Mirfazli, Mahsa Zardkanlou, Mohammad Ali Faramarzi, Mohammad Mahdavi and Tahmineh Akbarzadeh*

Novel Carbamοyloxy Analogues of Tamoxifen: Synthesis, Molecular Docking and Bioactivity Evaluation

Volume:17
Konstantinos M. Kasiotis*, George Lambrinidis, Nikolas Fokialakis and Serkos A. Haroutounian

Modifications of Isoalantolactone Leading to Effective Antibacterial and Antiviral Compounds

Volume:17
Sergey S. Patrushev, Lyubov G. Burova, Anna A. Shtro, Tatyana V. Rybalova, Dmitry S. Baev, Il’ya V. Shirokikh, Alexander N. Evstropov and Elvira E. Shults*

Molecular Docking, DFT Studies and ADMET Simulations for Evaluating Already Approved FDA Drugs as Inhibitors for SARS-Cov-2 RNADependent Polymerase

Volume:17
Manos C. Vlasiou*, Kyriakos I. Ioannou and Kyriaki S. Pafiti

Design of Inhibitory Peptides of the Interaction between the RBD Domain of the S1 Protein of SARS-CoV-2 and the Angiotensin Converting Enzyme 2 (ACE2) Receptor

Volume:17
Carlos Andrés Rodríguez-Salazar*, Delia Piedad Recalde-Reyes and Jhon Carlos Castaño-Osorio

Natural chemical entities as bioactive moiety from weaver ant, Oecophylla smaragdina: An in vitro and in silico Study

Volume:17
Suchismeeta Behera*, Priyanka Dash, Amulyaratna Behera, Chinmaya Chidananda Behera and Prafulla Kumar Mohanty

Selection of Active Antiviral Compounds Against Covid-19 Disease Targeting Coronavirus Endoribonuclease Nendou/NSP15 Via Ligand- Based Virtual Screening and Molecular Docking

Volume:17
Gaurav Joshi* and Ramarao Poduri

In-silico Inhibitory Study of cFos-cJun Complex by T-5224 Based Small Molecule Analogs

Volume:17
Srushti Chavadapur*, Shivaleela Biradar and Babu R. L.

Glycolytic Inhibition and Antidiabetic Activity on Synthesized Flavanone Scaffolds with Computer Aided Drug Designing Tools

Volume:17
Natarajan Kiruthiga*, Govindaraj Saravanan, Chellappa Selvinthanuja, Kulandaivel Srinivasan and Thangavel Sivakumar

In-Silico Study to Identify Dietary Molecules as Potential SARS-CoV-2 Agents

Volume:17
Mohammad Faheem Khan*, Mohsin Ali Khan, Zaw Ali Khan, Tanveer Ahamad and Waseem Ahmad Ansari

Design, Synthesis and In Vitro Evaluation of 4-Oxo-6-Substituted Phenyl- 2-Thioxo1,2,3,4-Tetrahydropyrimidine-5-Carbonitrile Derivatives as HIV Integrase Strand Transfer Inhibitors

Volume:17
Pankaj Wadhwa*, Priti Jain and Hemant R. Jadhav

1'-methylspiro[indoline-3,4'-piperidine] Derivatives: Design, Synthesis, Molecular Docking and Anti-tumor Activity Studies

Volume:17
Junjian Li, Lianbao Ye*, Yuanyuan Wang, Ying Liu, Xiaobao Jin and Ming Li

Computational Investigation of Zerumbone as an Inhibitor of TNF-alpha Using Molecular Dynamics and Molecular Docking Methods

Volume:17
Salam Pradeep Singh, Khumukcham Nongalleima, Ningthoujam Indrajit Singh, Wahengbam Kabita Chanu, Thiyam Ramsing Singh and Chingakham Brajakisor Singh*

Synthesis and Docking Study of Some Bioactive N-(benzo[d]thiazol-2-yl)- 2-(4-((substituted)phenoxy)acetamide on Cyclo-oxygenase-2 Enzyme and in-vivo Analgesic Activity Evaluation

Volume:17
Sumit Kumar, Arvind Kumar, Amit Verma and Arun Kumar Mishra*

General Perspectives for the Treatment of Atherosclerosis

Volume:17
Hayrettin Ozan Gülcan and Ilkay Erdogan Orhan*

One Pot Synthesis and Pharmacological Evaluation of Aryl Substituted Imidazoles as Potential Atypical Antipsychotics

Volume:17
Arshjyoti Singh, Alka Bali* and Pooja Kumari

Drug repurposing using similarity-based target prediction, docking studies and scaffold hopping of lefamulin

Volume:17
Shikha Sharma, Shweta Sharma, Vaishali Pathak, Parwinder Kaur and Rajesh Kumar Singh*

Tetralone Scaffolds and Their Potential Therapeutic Applications

Volume:17
Bhagwati Gauni*, Krunal Mehariya, Anamik Shah and Srinivas Murty Duggirala

Inhibition Profiling of Urease and Carbonic Anhydrase II by High- Throughput Screening and Molecular Docking Studies of Structurally Diverse Organic Compounds

Volume:17
Majid Ali, Syed Majid Bukhari*, Asma Zaidi, Farhan A. Khan, Umer Rashid, Neelum Tahir, Baseerat Rabbani and Umar Farooq

Synthesis, Design and Anti-inflammatory Activity of Novel 5-(Indol-3- yl)thiazolidinone Derivatives as COX-2 Inhibitors

Volume:17
Saad R. Atta-Allah, Ibrahim F. Nassar* and Wael A. El-Sayed

Molecular Docking, 3D-QSAR, Fingerprint-Based 2D-QSAR Analysis of Pyrimidine Analogs of ALK (Anaplastic Lymphoma Kinase) Inhibitors as an Anticancer Agent

Volume:17
Vivek Yadav*, Rajiv Kumar Tonk and Ramchander Khatri

Microwave-assisted Synthesis of Novel Mannich Base and Conazole Derivatives Containing Biologically Active Pharmacological Groups

Volume:17
Yıldız Uygun Cebeci*, Sule Ceylan, Neslihan Demirbas and Şengül Alpay Karaoğlu

Chalcones and Bis-Chalcones Analogs as DPPH and ABTS Radical Scavengers

Volume:17
Adebayo Tajudeen Bale, Uzma Salar, Khalid Mohammed Khan*, Sridevi Chigurupati, Tolulope Fasina, Farman Ali, Muhammad Ali, Sitanshu Sekhar Nanda, Muhammad Taha and Shahnaz Perveen

Expanding Opportunities in Treatment of Leukemia by Solid Lipid Nanoparticles

Volume:17
Prarthna Yadav, Harshita Mishra, Manju Nagpal and Geeta Aggarwal*

Carbonic Anhydrase Inhibition Potential and Some Bioactivities of the Peripherally Tetrasubstituted Cobalt(II), Titanium(IV), Manganese(III) Phthalocyanines

Volume:17
Ayça Aktaş Karaçelik*, Murat Küçük, Derya Efe, Volkan Çakır and Zekeriya Bıyıklıoğlu

Sulfonamides and Sulphonyl Ester of Quinolines as Non-Acidic, Non- Steroidal, Anti-inflammatory Agents

Volume:17
Bilquees Bano, Kanwal, Khalid Mohammed Khan*, Almas Jabeen, Aisha Faheem, Muhammad Taha, Syed Moazzam Haider and Shahnaz Perveen

Virtual Screening of Chinese Medicine Small Molecule Compounds Targeting SARS-CoV-2 3CL Protease (3CL pro)

Volume:17
Qingxiu He, Xin Chen, Xi Yang, Guangpin Li, Haiqiong Guo, Han Chu, Zhihua Lin and Yuanqiang Wang*

New Chalcone Derivatives with Pyrazole and Sulfonamide Pharmacophores as Carbonic Anhydrase Inhibitors

Volume:17
Mehtap Tugrak*, Halise Inci Gul, Hulya Akincioglu and Ilhami Gulcin

Natural Antidiabetic Agents: Molecular Docking Study using the Extra Precision Method

Volume:17
Sandip Firke*, Ashish Dhote, Ravindra Patil, Atul Shirlhedkar and Sanjay Surana

Structural Investigations of Aroylindole Derivatives through 3D-QSAR and Multiple Pharmacophore Modeling for the Search of Novel Colchicines Inhibitor

Volume:17
Vijay K. Patel and Harish Rajak*

Design, Synthesis and Insecticidal Activity of 3-(Ethylsulfonyl)-Pyridines Bearing Trifluoromethyl-Oxadiazole Fragment

Volume:17
Liangkun Zhong, Jing Yuan*, Dan Pei, Xinghai Liu, Tianming Xu and Cheng-xia Tan*

A Review on Hepatoprotective Effects of Some Medicinal Plant Oils

Volume:17
Nour Elhouda Daoudi, Mohamed Bouhrim and Mohamed Bnouham*

Virtual Screening Based Discovery of PTP1B Inhibitors and Their Biological Evaluations

Volume:17
Neelesh Maheshwari, Karthikeyan Chandrabose, Shraddha V. Bhadada, Amit K. Verma, Chandan Sahi, N.S. Hari Narayana Moorthy* and Piyush Trivedi

A Computational Molecular Docking Studies on the Tryparedoxin Peroxidase of Leishmania Donovani Responsible for Visceral Leishmaniasis in Human

Volume:17
Sagar Bhowmik* and Md. Shamim Akhter

4-Aminosalicylic Acid-based Hybrid Compounds: Synthesis and In vitro Antiplasmodial Evaluation

Volume:17
Siphesihle Jama, Xhamla Nqoro, Eric Morifi and Blessing Atim Aderibigbe*

Evaluation of Pipemidic Acid Derivatives for Potential Antimicrobial Activity Application: In silico Studies on Bioactivity

Volume:17
Mpho Phehello Ngoepe* and Sharon Moeno

Synthesis and Biological Activity Evaluation of Polyfunctionalized Anthraquinonehydrazones

Volume:17
Andrii Lozynskyi, Serhii Holota, Ihor Yushyn, Oksana Sabadakh, Olexandr Karpenko, Volodymyr Novikov and Roman Lesyk*