Repurposing of known drugs for COVID-19 using molecular docking and simulation analysis
Bioinformation. 2023 Feb 28;19(2):149-159. doi: 10.6026/97320630019149. eCollection 2023.ABSTRACTWe selected fifty one drugs already known for their potential disease treatment roles in various studies and subjected to docking and molecular docking simulation (MDS) analyses. Five of them showed promising features that are discussed and suggested as potential candidates for repurposing for COVID-19. These top five compounds were boswellic acid, pimecrolimus, GYY-4137, BMS-345541 and triamcinolone hexacetonide that interacted with the chosen receptors 1R42, 4G3D, 6VW1, 6VXX and 7MEQ, respectively with binding energies of -9....
Source: Bioinformation - October 10, 2023 Category: Bioinformatics Authors: Piyush Bhanu Anagha S Setlur Chandrashekar K Vidya Niranjan Nisha Hemandhar Kumar Sakshi Buchke Jitendra Kumar Anita Rani Sushil M Tiwari Vachaspati Mishra Source Type: research
Repurposing of known drugs for COVID-19 using molecular docking and simulation analysis
Bioinformation. 2023 Feb 28;19(2):149-159. doi: 10.6026/97320630019149. eCollection 2023.ABSTRACTWe selected fifty one drugs already known for their potential disease treatment roles in various studies and subjected to docking and molecular docking simulation (MDS) analyses. Five of them showed promising features that are discussed and suggested as potential candidates for repurposing for COVID-19. These top five compounds were boswellic acid, pimecrolimus, GYY-4137, BMS-345541 and triamcinolone hexacetonide that interacted with the chosen receptors 1R42, 4G3D, 6VW1, 6VXX and 7MEQ, respectively with binding energies of -9....
Source: Bioinformation - October 10, 2023 Category: Bioinformatics Authors: Piyush Bhanu Anagha S Setlur Chandrashekar K Vidya Niranjan Nisha Hemandhar Kumar Sakshi Buchke Jitendra Kumar Anita Rani Sushil M Tiwari Vachaspati Mishra Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
New Non-Steroidal Topical Therapies for Inflammatory Dermatoses-Part 3: Roflumilast
Skinmed. 2023 Sep 29;21(4):264-268. eCollection 2023.ABSTRACTTopical corticosteroids have remained the initial and long-term topical treatment option for inflammatory dermatitis conditions since the 1950s. A number of non-steroidal topicals for treatment of inflammatory dermatoses have been developed in the recent decades, such as topical calcineurin inhibitors (tacrolimus ointment and pimecrolimus cream), vitamin D analogues, and phophodiesterase-4 inhibitors (crisaborole), but none had the combination of broad therapeutic range, relatively rapid onset of action, tolerability, and wide-spread clinical success that allowed...
Source: Skinmed - September 29, 2023 Category: Dermatology Authors: Margaret DiRuggiero Elizabeth Mancuso-Stewart Douglas DiRuggiero Matt Zirwas Source Type: research
